2-tert-butyl-3,4-dihydrobenzimidazol-5-one;2-tert-butyl-3,4-dihydroimidazo[4,5-b]pyrazin-5-one;2-tert-butyl-1,4-dihydroimidazo[4,5-b]pyridin-5-one;2-tert-butyl-1,7-dihydroimidazo[4,5-b]pyridin-6-one;bis(8-tert-butyl-1,7-dihydropurin-6-one);2-tert-butyl-4-methylpyridine;bis(2-tert-butyl-5-methylpyridine);2-tert-butylpyrazine;6-tert-butyl-1H-pyrazin-2-one;bis(2-tert-butylpyridine);2-tert-butylpyridine-3-carboxylic acid;6-tert-butyl-1H-pyridin-2-one;2-tert-butyl-1H-pyrimidin-6-one;bis(carbon dioxide)

C151H209N33O15 — CID 176539966

IUPAC2-tert-butyl-3,4-dihydrobenzimidazol-5-one;2-tert-butyl-3,4-dihydroimidazo[4,5-b]pyrazin-5-one;2-tert-butyl-1,4-dihydroimidazo[4,5-b]pyridin-5-one;2-tert-butyl-1,7-dihydroimidazo[4,5-b]pyridin-6-one;bis(8-tert-butyl-1,7-dihydropurin-6-one);2-tert-butyl-4-methylpyridine;bis(2-tert-butyl-5-methylpyridine);2-tert-butylpyrazine;6-tert-butyl-1H-pyrazin-2-one;bis(2-tert-butylpyridine);2-tert-butylpyridine-3-carboxylic acid;6-tert-butyl-1H-pyridin-2-one;2-tert-butyl-1H-pyrimidin-6-one;bis(carbon dioxide)
SMILESCC(C)(C)c1cccc(=O)[nH]1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cncc(=O)[nH]1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2[nH]c(=O)ccc2[nH]1.CC(C)(C)c1nc2c([nH]1)CC(=O)C=C2.CC(C)(C)c1nc2c([nH]1)CC(=O)C=N2.CC(C)(C)c1nc2nc[nH]c(=O)c2[nH]1.CC(C)(C)c1nc2nc[nH]c(=O)c2[nH]1.CC(C)(C)c1nc2ncc(=O)[nH]c2[nH]1.CC(C)(C)c1nccc(=O)[nH]1.CC(C)(C)c1ncccc1C(=O)O.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccnc(C(C)(C)C)c1.O=C=O.O=C=O
InChIInChI=1S/C11H14N2O.2C10H13N3O.C10H13NO2.3C10H15N.3C9H12N4O.C9H13NO.2C9H13N.2C8H12N2O.C8H12N2.2CO2/c1-11(2,3)10-12-8-5-4-7(14)6-9(8)13-10;1-10(2,3)9-12-7-4-6(14)5-11-8(7)13-9;1-10(2,3)9-11-6-4-5-7(14)12-8(6)13-9;1-10(2,3)8-7(9(12)13)5-4-6-11-8;1-8-5-6-11-9(7-8)10(2,3)4;2*1-8-5-6-9(11-7-8)10(2,3)4;2*1-9(2,3)8-12-5-6(13-8)10-4-11-7(5)14;1-9(2,3)8-12-6-7(13-8)11-5(14)4-10-6;1-9(2,3)7-5-4-6-8(11)10-7;2*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-9-5-7(11)10-6;1-8(2,3)7-9-5-4-6(11)10-7;1-8(2,3)7-6-9-4-5-10-7;2*2-1-3/h4-5H,6H2,1-3H3,(H,12,13);5H,4H2,1-3H3,(H,12,13);4-5H,1-3H3,(H2,11,12,13,14);4-6H,1-3H3,(H,12,13);3*5-7H,1-4H3;3*4H,1-3H3,(H2,10,11,12,13,14);4-6H,1-3H3,(H,10,11);2*4-7H,1-3H3;4-5H,1-3H3,(H,10,11);4-5H,1-3H3,(H,9,10,11);4-6H,1-3H3;;
InChIKeyOBTSDOPFGZAEHK-UHFFFAOYSA-N
MW2726.55 g/mol
LogP27.07
Rot. Bonds1

About 2-tert-butyl-3,4-dihydrobenzimidazol-5-one;2-tert-butyl-3,4-dihydroimidazo[4,5-b]pyrazin-5-one;2-tert-butyl-1,4-dihydroimidazo[4,5-b]pyridin-5-one;2-tert-butyl-1,7-dihydroimidazo[4,5-b]pyridin-6-one;bis(8-tert-butyl-1,7-dihydropurin-6-one);2-tert-butyl-4-methylpyridine;bis(2-tert-butyl-5-methylpyridine);2-tert-butylpyrazine;6-tert-butyl-1H-pyrazin-2-one;bis(2-tert-butylpyridine);2-tert-butylpyridine-3-carboxylic acid;6-tert-butyl-1H-pyridin-2-one;2-tert-butyl-1H-pyrimidin-6-one;bis(carbon dioxide)

2-tert-butyl-3,4-dihydrobenzimidazol-5-one;2-tert-butyl-3,4-dihydroimidazo[4,5-b]pyrazin-5-one;2-tert-butyl-1,4-dihydroimidazo[4,5-b]pyridin-5-one;2-tert-butyl-1,7-dihydroimidazo[4,5-b]pyridin-6-one;bis(8-tert-butyl-1,7-dihydropurin-6-one);2-tert-butyl-4-methylpyridine;bis(2-tert-butyl-5-methylpyridine);2-tert-butylpyrazine;6-tert-butyl-1H-pyrazin-2-one;bis(2-tert-butylpyridine);2-tert-butylpyridine-3-carboxylic acid;6-tert-butyl-1H-pyridin-2-one;2-tert-butyl-1H-pyrimidin-6-one;bis(carbon dioxide) (PubChem CID 176539966) has the molecular formula C151H209N33O15 and a molecular weight of 2726.55 g/mol. Its IUPAC name is 2-tert-butyl-3,4-dihydrobenzimidazol-5-one;2-tert-butyl-3,4-dihydroimidazo[4,5-b]pyrazin-5-one;2-tert-butyl-1,4-dihydroimidazo[4,5-b]pyridin-5-one;2-tert-butyl-1,7-dihydroimidazo[4,5-b]pyridin-6-one;bis(8-tert-butyl-1,7-dihydropurin-6-one);2-tert-butyl-4-methylpyridine;bis(2-tert-butyl-5-methylpyridine);2-tert-butylpyrazine;6-tert-butyl-1H-pyrazin-2-one;bis(2-tert-butylpyridine);2-tert-butylpyridine-3-carboxylic acid;6-tert-butyl-1H-pyridin-2-one;2-tert-butyl-1H-pyrimidin-6-one;bis(carbon dioxide).

Molecular Properties

Compound Name2-tert-butyl-3,4-dihydrobenzimidazol-5-one;2-tert-butyl-3,4-dihydroimidazo[4,5-b]pyrazin-5-one;2-tert-butyl-1,4-dihydroimidazo[4,5-b]pyridin-5-one;2-tert-butyl-1,7-dihydroimidazo[4,5-b]pyridin-6-one;bis(8-tert-butyl-1,7-dihydropurin-6-one);2-tert-butyl-4-methylpyridine;bis(2-tert-butyl-5-methylpyridine);2-tert-butylpyrazine;6-tert-butyl-1H-pyrazin-2-one;bis(2-tert-butylpyridine);2-tert-butylpyridine-3-carboxylic acid;6-tert-butyl-1H-pyridin-2-one;2-tert-butyl-1H-pyrimidin-6-one;bis(carbon dioxide)
PubChem CID176539966
Molecular FormulaC151H209N33O15
Molecular Weight2726.55 g/mol
Exact Mass2724.66
IUPAC Name2-tert-butyl-3,4-dihydrobenzimidazol-5-one;2-tert-butyl-3,4-dihydroimidazo[4,5-b]pyrazin-5-one;2-tert-butyl-1,4-dihydroimidazo[4,5-b]pyridin-5-one;2-tert-butyl-1,7-dihydroimidazo[4,5-b]pyridin-6-one;bis(8-tert-butyl-1,7-dihydropurin-6-one);2-tert-butyl-4-methylpyridine;bis(2-tert-butyl-5-methylpyridine);2-tert-butylpyrazine;6-tert-butyl-1H-pyrazin-2-one;bis(2-tert-butylpyridine);2-tert-butylpyridine-3-carboxylic acid;6-tert-butyl-1H-pyridin-2-one;2-tert-butyl-1H-pyrimidin-6-one;bis(carbon dioxide)
SMILESCC(C)(C)c1cccc(=O)[nH]1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cncc(=O)[nH]1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2[nH]c(=O)ccc2[nH]1.CC(C)(C)c1nc2c([nH]1)CC(=O)C=C2.CC(C)(C)c1nc2c([nH]1)CC(=O)C=N2.CC(C)(C)c1nc2nc[nH]c(=O)c2[nH]1.CC(C)(C)c1nc2nc[nH]c(=O)c2[nH]1.CC(C)(C)c1nc2ncc(=O)[nH]c2[nH]1.CC(C)(C)c1nccc(=O)[nH]1.CC(C)(C)c1ncccc1C(=O)O.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccnc(C(C)(C)C)c1.O=C=O.O=C=O
InChIInChI=1S/C11H14N2O.2C10H13N3O.C10H13NO2.3C10H15N.3C9H12N4O.C9H13NO.2C9H13N.2C8H12N2O.C8H12N2.2CO2/c1-11(2,3)10-12-8-5-4-7(14)6-9(8)13-10;1-10(2,3)9-12-7-4-6(14)5-11-8(7)13-9;1-10(2,3)9-11-6-4-5-7(14)12-8(6)13-9;1-10(2,3)8-7(9(12)13)5-4-6-11-8;1-8-5-6-11-9(7-8)10(2,3)4;2*1-8-5-6-9(11-7-8)10(2,3)4;2*1-9(2,3)8-12-5-6(13-8)10-4-11-7(5)14;1-9(2,3)8-12-6-7(13-8)11-5(14)4-10-6;1-9(2,3)7-5-4-6-8(11)10-7;2*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-9-5-7(11)10-6;1-8(2,3)7-9-5-4-6(11)10-7;1-8(2,3)7-6-9-4-5-10-7;2*2-1-3/h4-5H,6H2,1-3H3,(H,12,13);5H,4H2,1-3H3,(H,12,13);4-5H,1-3H3,(H2,11,12,13,14);4-6H,1-3H3,(H,12,13);3*5-7H,1-4H3;3*4H,1-3H3,(H2,10,11,12,13,14);4-6H,1-3H3,(H,10,11);2*4-7H,1-3H3;4-5H,1-3H3,(H,10,11);4-5H,1-3H3,(H,9,10,11);4-6H,1-3H3;;
InChIKeyOBTSDOPFGZAEHK-UHFFFAOYSA-N
XLogP27.07
TPSA721.75 Ų
H-Bond Donors14
H-Bond Acceptors34
Rotatable Bonds1
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002726.55
LogP ≤ 527.07
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1034

Analyze 2-tert-butyl-3,4-dihydrobenzimidazol-5-one;2-tert-butyl-3,4-dihydroimidazo[4,5-b]pyrazin-5-one;2-tert-butyl-1,4-dihydroimidazo[4,5-b]pyridin-5-one;2-tert-butyl-1,7-dihydroimidazo[4,5-b]pyridin-6-one;bis(8-tert-butyl-1,7-dihydropurin-6-one);2-tert-butyl-4-methylpyridine;bis(2-tert-butyl-5-methylpyridine);2-tert-butylpyrazine;6-tert-butyl-1H-pyrazin-2-one;bis(2-tert-butylpyridine);2-tert-butylpyridine-3-carboxylic acid;6-tert-butyl-1H-pyridin-2-one;2-tert-butyl-1H-pyrimidin-6-one;bis(carbon dioxide) with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-methyl-N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-methyl-N-[(3S)-1-[6-[[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]carbamate;methane;[(3S)-3-(methylamino)pyrrolidin-1-yl]-[6-[[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]amino]-3-pyridinyl]methanone;6-[[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid;dihydrochloride
CID 163496870
6-tert-butylpyridin-3-amine;N-(6-tert-butyl-3-pyridinyl)-5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid;(4,4-difluoropiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;methyl 5-bromopyridine-3-carboxylate;methyl 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylate
CID 165036982
(5R)-5-(aminomethyl)-3-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxamide;6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid;2-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-2-methylpropanamide
CID 167639760
4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-3,3-dimethyl-N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]butanamide;bis(2-pyridin-2-ylpyridine);ruthenium
CID 20811295
4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-3,3-dimethyl-N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]butanamide;bis(2-pyridin-2-ylpyridine);ruthenium(1+)
CID 140425687
5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-3-carboxamide;5-[(Z)-[2-amino-4-chloro-6-oxo-7-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid;2-amino-4-chloro-7-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N',N'-diethylethane-1,2-diamine;ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate;5-formyl-1H-pyrrole-3-carboxylic acid;pyridin-4-ylmethanamine
CID 157428966
3-[(5-benzoyl-7H-cyclopenta[d]pyrimidin-4-yl)methyl]-N-(3-piperidin-1-ylpropyl)benzamide;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-imidazol-1-ylpropan-2-one;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-pyridin-3-ylbutan-2-one;tert-butyl 2-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetate;tert-butyl 3-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propanoate;[4-[3-(hydroxymethyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone
CID 157590823
acetic acid;2-amino-1-phenylethanone;azane;6-cyano-N-phenacylpyridine-3-carboxamide;6-cyanopyridine-3-carboxylic acid;molecular fluorine;5-(5-phenyl-1H-imidazol-2-yl)pyridine-2-carbonitrile;[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]methanamine
CID 157785745
2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)-N-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid;1-[2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]ethanone
CID 158045586
2-borono-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;1-O-tert-butyl 4-O-methyl 7-(dibenzylamino)pyrrolo[2,3-c]pyridine-1,4-dicarboxylate;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
CID 158133035
6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(4-methyl-3-pyridinyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]-4-methylpyridine-3-carboxamide;methane;4-methylpyridine-3-carboxylic acid
CID 158170482
Tert-butyl 3-[6-[[7-cycloheptyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-3-carbonyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;6-[[7-cycloheptyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-3-carboxylic acid
CID 158308401

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,4-dihydrobenzimidazol-5-one;2-tert-butyl-3,4-dihydroimidazo[4,5-b]pyrazin-5-one;2-tert-butyl-1,4-dihydroimidazo[4,5-b]pyridin-5-one;2-tert-butyl-1,7-dihydroimidazo[4,5-b]pyridin-6-one;bis(8-tert-butyl-1,7-dihydropurin-6-one);2-tert-butyl-4-methylpyridine;bis(2-tert-butyl-5-methylpyridine);2-tert-butylpyrazine;6-tert-butyl-1H-pyrazin-2-one;bis(2-tert-butylpyridine);2-tert-butylpyridine-3-carboxylic acid;6-tert-butyl-1H-pyridin-2-one;2-tert-butyl-1H-pyrimidin-6-one;bis(carbon dioxide)?
The IUPAC name of 2-tert-butyl-3,4-dihydrobenzimidazol-5-one;2-tert-butyl-3,4-dihydroimidazo[4,5-b]pyrazin-5-one;2-tert-butyl-1,4-dihydroimidazo[4,5-b]pyridin-5-one;2-tert-butyl-1,7-dihydroimidazo[4,5-b]pyridin-6-one;bis(8-tert-butyl-1,7-dihydropurin-6-one);2-tert-butyl-4-methylpyridine;bis(2-tert-butyl-5-methylpyridine);2-tert-butylpyrazine;6-tert-butyl-1H-pyrazin-2-one;bis(2-tert-butylpyridine);2-tert-butylpyridine-3-carboxylic acid;6-tert-butyl-1H-pyridin-2-one;2-tert-butyl-1H-pyrimidin-6-one;bis(carbon dioxide) (CID 176539966) is 2-tert-butyl-3,4-dihydrobenzimidazol-5-one;2-tert-butyl-3,4-dihydroimidazo[4,5-b]pyrazin-5-one;2-tert-butyl-1,4-dihydroimidazo[4,5-b]pyridin-5-one;2-tert-butyl-1,7-dihydroimidazo[4,5-b]pyridin-6-one;bis(8-tert-butyl-1,7-dihydropurin-6-one);2-tert-butyl-4-methylpyridine;bis(2-tert-butyl-5-methylpyridine);2-tert-butylpyrazine;6-tert-butyl-1H-pyrazin-2-one;bis(2-tert-butylpyridine);2-tert-butylpyridine-3-carboxylic acid;6-tert-butyl-1H-pyridin-2-one;2-tert-butyl-1H-pyrimidin-6-one;bis(carbon dioxide).
What is the SMILES notation for 2-tert-butyl-3,4-dihydrobenzimidazol-5-one;2-tert-butyl-3,4-dihydroimidazo[4,5-b]pyrazin-5-one;2-tert-butyl-1,4-dihydroimidazo[4,5-b]pyridin-5-one;2-tert-butyl-1,7-dihydroimidazo[4,5-b]pyridin-6-one;bis(8-tert-butyl-1,7-dihydropurin-6-one);2-tert-butyl-4-methylpyridine;bis(2-tert-butyl-5-methylpyridine);2-tert-butylpyrazine;6-tert-butyl-1H-pyrazin-2-one;bis(2-tert-butylpyridine);2-tert-butylpyridine-3-carboxylic acid;6-tert-butyl-1H-pyridin-2-one;2-tert-butyl-1H-pyrimidin-6-one;bis(carbon dioxide)?
The canonical SMILES for 2-tert-butyl-3,4-dihydrobenzimidazol-5-one;2-tert-butyl-3,4-dihydroimidazo[4,5-b]pyrazin-5-one;2-tert-butyl-1,4-dihydroimidazo[4,5-b]pyridin-5-one;2-tert-butyl-1,7-dihydroimidazo[4,5-b]pyridin-6-one;bis(8-tert-butyl-1,7-dihydropurin-6-one);2-tert-butyl-4-methylpyridine;bis(2-tert-butyl-5-methylpyridine);2-tert-butylpyrazine;6-tert-butyl-1H-pyrazin-2-one;bis(2-tert-butylpyridine);2-tert-butylpyridine-3-carboxylic acid;6-tert-butyl-1H-pyridin-2-one;2-tert-butyl-1H-pyrimidin-6-one;bis(carbon dioxide) is CC(C)(C)c1cccc(=O)[nH]1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cncc(=O)[nH]1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2[nH]c(=O)ccc2[nH]1.CC(C)(C)c1nc2c([nH]1)CC(=O)C=C2.CC(C)(C)c1nc2c([nH]1)CC(=O)C=N2.CC(C)(C)c1nc2nc[nH]c(=O)c2[nH]1.CC(C)(C)c1nc2nc[nH]c(=O)c2[nH]1.CC(C)(C)c1nc2ncc(=O)[nH]c2[nH]1.CC(C)(C)c1nccc(=O)[nH]1.CC(C)(C)c1ncccc1C(=O)O.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccnc(C(C)(C)C)c1.O=C=O.O=C=O.
What is the InChIKey of 2-tert-butyl-3,4-dihydrobenzimidazol-5-one;2-tert-butyl-3,4-dihydroimidazo[4,5-b]pyrazin-5-one;2-tert-butyl-1,4-dihydroimidazo[4,5-b]pyridin-5-one;2-tert-butyl-1,7-dihydroimidazo[4,5-b]pyridin-6-one;bis(8-tert-butyl-1,7-dihydropurin-6-one);2-tert-butyl-4-methylpyridine;bis(2-tert-butyl-5-methylpyridine);2-tert-butylpyrazine;6-tert-butyl-1H-pyrazin-2-one;bis(2-tert-butylpyridine);2-tert-butylpyridine-3-carboxylic acid;6-tert-butyl-1H-pyridin-2-one;2-tert-butyl-1H-pyrimidin-6-one;bis(carbon dioxide)?
The InChIKey is OBTSDOPFGZAEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.2C10H13N3O.C10H13NO2.3C10H15N.3C9H12N4O.C9H13NO.2C9H13N.2C8H12N2O.C8H12N2.2CO2/c1-11(2,3)10-12-8-5-4-7(14)6-9(8)13-10;1-10(2,3)9-12-7-4-6(14)5-11-8(7)13-9;1-10(2,3)9-11-6-4-5-7(14)12-8(6)13-9;1-10(2,3)8-7(9(12)13)5-4-6-11-8;1-8-5-6-11-9(7-8)10(2,3)4;2*1-8-5-6-9(11-7-8)10(2,3)4;2*1-9(2,3)8-12-5-6(13-8)10-4-11-7(5)14;1-9(2,3)8-12-6-7(13-8)11-5(14)4-10-6;1-9(2,3)7-5-4-6-8(11)10-7;2*1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-9-5-7(11)10-6;1-8(2,3)7-9-5-4-6(11)10-7;1-8(2,3)7-6-9-4-5-10-7;2*2-1-3/h4-5H,6H2,1-3H3,(H,12,13);5H,4H2,1-3H3,(H,12,13);4-5H,1-3H3,(H2,11,12,13,14);4-6H,1-3H3,(H,12,13);3*5-7H,1-4H3;3*4H,1-3H3,(H2,10,11,12,13,14);4-6H,1-3H3,(H,10,11);2*4-7H,1-3H3;4-5H,1-3H3,(H,10,11);4-5H,1-3H3,(H,9,10,11);4-6H,1-3H3;;.
What are the key properties of 2-tert-butyl-3,4-dihydrobenzimidazol-5-one;2-tert-butyl-3,4-dihydroimidazo[4,5-b]pyrazin-5-one;2-tert-butyl-1,4-dihydroimidazo[4,5-b]pyridin-5-one;2-tert-butyl-1,7-dihydroimidazo[4,5-b]pyridin-6-one;bis(8-tert-butyl-1,7-dihydropurin-6-one);2-tert-butyl-4-methylpyridine;bis(2-tert-butyl-5-methylpyridine);2-tert-butylpyrazine;6-tert-butyl-1H-pyrazin-2-one;bis(2-tert-butylpyridine);2-tert-butylpyridine-3-carboxylic acid;6-tert-butyl-1H-pyridin-2-one;2-tert-butyl-1H-pyrimidin-6-one;bis(carbon dioxide)?
2-tert-butyl-3,4-dihydrobenzimidazol-5-one;2-tert-butyl-3,4-dihydroimidazo[4,5-b]pyrazin-5-one;2-tert-butyl-1,4-dihydroimidazo[4,5-b]pyridin-5-one;2-tert-butyl-1,7-dihydroimidazo[4,5-b]pyridin-6-one;bis(8-tert-butyl-1,7-dihydropurin-6-one);2-tert-butyl-4-methylpyridine;bis(2-tert-butyl-5-methylpyridine);2-tert-butylpyrazine;6-tert-butyl-1H-pyrazin-2-one;bis(2-tert-butylpyridine);2-tert-butylpyridine-3-carboxylic acid;6-tert-butyl-1H-pyridin-2-one;2-tert-butyl-1H-pyrimidin-6-one;bis(carbon dioxide) has a molecular weight of 2726.55 g/mol, XLogP of 27.07, 1 rotatable bonds, 14 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,4-dihydrobenzimidazol-5-one;2-tert-butyl-3,4-dihydroimidazo[4,5-b]pyrazin-5-one;2-tert-butyl-1,4-dihydroimidazo[4,5-b]pyridin-5-one;2-tert-butyl-1,7-dihydroimidazo[4,5-b]pyridin-6-one;bis(8-tert-butyl-1,7-dihydropurin-6-one);2-tert-butyl-4-methylpyridine;bis(2-tert-butyl-5-methylpyridine);2-tert-butylpyrazine;6-tert-butyl-1H-pyrazin-2-one;bis(2-tert-butylpyridine);2-tert-butylpyridine-3-carboxylic acid;6-tert-butyl-1H-pyridin-2-one;2-tert-butyl-1H-pyrimidin-6-one;bis(carbon dioxide) is sourced from PubChem (CID 176539966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).