1-(2-methylpropyl)benzimidazole;N-(2-methylpropyl)-1,3-benzothiazol-2-amine;1-(2-methylpropyl)benzotriazole;1-(2-methylpropyl)indazole;N-(2-methylpropyl)-1,2-oxazol-3-amine;N-(2-methylpropyl)-2H-pyrrol-5-amine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;N-(2-methylpropyl)quinolin-2-amine

C82H111N17OS — CID 158098007

IUPAC1-(2-methylpropyl)benzimidazole;N-(2-methylpropyl)-1,3-benzothiazol-2-amine;1-(2-methylpropyl)benzotriazole;1-(2-methylpropyl)indazole;N-(2-methylpropyl)-1,2-oxazol-3-amine;N-(2-methylpropyl)-2H-pyrrol-5-amine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;N-(2-methylpropyl)quinolin-2-amine
SMILESCC(C)CNC1=NCC=C1.CC(C)CNc1ccc2ccccc2n1.CC(C)CNc1ccon1.CC(C)CNc1nc2ccccc2s1.CC(C)Cn1ccc2cccnc21.CC(C)Cn1cnc2ccccc21.CC(C)Cn1ncc2ccccc21.CC(C)Cn1nnc2ccccc21
InChIInChI=1S/C13H16N2.C11H14N2S.3C11H14N2.C10H13N3.C8H14N2.C7H12N2O/c1-10(2)9-14-13-8-7-11-5-3-4-6-12(11)15-13;1-8(2)7-12-11-13-9-5-3-4-6-10(9)14-11;1-9(2)8-13-7-5-10-4-3-6-12-11(10)13;1-9(2)8-13-11-6-4-3-5-10(11)7-12-13;1-9(2)7-13-8-12-10-5-3-4-6-11(10)13;1-8(2)7-13-10-6-4-3-5-9(10)11-12-13;1-7(2)6-10-8-4-3-5-9-8;1-6(2)5-8-7-3-4-10-9-7/h3-8,10H,9H2,1-2H3,(H,14,15);3-6,8H,7H2,1-2H3,(H,12,13);2*3-7,9H,8H2,1-2H3;3-6,8-9H,7H2,1-2H3;3-6,8H,7H2,1-2H3;3-4,7H,5-6H2,1-2H3,(H,9,10);3-4,6H,5H2,1-2H3,(H,8,9)
InChIKeyFOXCQDUJXYBIHS-UHFFFAOYSA-N
MW1382.97 g/mol
LogP19.77
Rot. Bonds19

About 1-(2-methylpropyl)benzimidazole;N-(2-methylpropyl)-1,3-benzothiazol-2-amine;1-(2-methylpropyl)benzotriazole;1-(2-methylpropyl)indazole;N-(2-methylpropyl)-1,2-oxazol-3-amine;N-(2-methylpropyl)-2H-pyrrol-5-amine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;N-(2-methylpropyl)quinolin-2-amine

1-(2-methylpropyl)benzimidazole;N-(2-methylpropyl)-1,3-benzothiazol-2-amine;1-(2-methylpropyl)benzotriazole;1-(2-methylpropyl)indazole;N-(2-methylpropyl)-1,2-oxazol-3-amine;N-(2-methylpropyl)-2H-pyrrol-5-amine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;N-(2-methylpropyl)quinolin-2-amine (PubChem CID 158098007) has the molecular formula C82H111N17OS and a molecular weight of 1382.97 g/mol. Its IUPAC name is 1-(2-methylpropyl)benzimidazole;N-(2-methylpropyl)-1,3-benzothiazol-2-amine;1-(2-methylpropyl)benzotriazole;1-(2-methylpropyl)indazole;N-(2-methylpropyl)-1,2-oxazol-3-amine;N-(2-methylpropyl)-2H-pyrrol-5-amine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;N-(2-methylpropyl)quinolin-2-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)benzimidazole;N-(2-methylpropyl)-1,3-benzothiazol-2-amine;1-(2-methylpropyl)benzotriazole;1-(2-methylpropyl)indazole;N-(2-methylpropyl)-1,2-oxazol-3-amine;N-(2-methylpropyl)-2H-pyrrol-5-amine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;N-(2-methylpropyl)quinolin-2-amine
PubChem CID158098007
Molecular FormulaC82H111N17OS
Molecular Weight1382.97 g/mol
Exact Mass1381.89
IUPAC Name1-(2-methylpropyl)benzimidazole;N-(2-methylpropyl)-1,3-benzothiazol-2-amine;1-(2-methylpropyl)benzotriazole;1-(2-methylpropyl)indazole;N-(2-methylpropyl)-1,2-oxazol-3-amine;N-(2-methylpropyl)-2H-pyrrol-5-amine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;N-(2-methylpropyl)quinolin-2-amine
SMILESCC(C)CNC1=NCC=C1.CC(C)CNc1ccc2ccccc2n1.CC(C)CNc1ccon1.CC(C)CNc1nc2ccccc2s1.CC(C)Cn1ccc2cccnc21.CC(C)Cn1cnc2ccccc21.CC(C)Cn1ncc2ccccc21.CC(C)Cn1nnc2ccccc21
InChIInChI=1S/C13H16N2.C11H14N2S.3C11H14N2.C10H13N3.C8H14N2.C7H12N2O/c1-10(2)9-14-13-8-7-11-5-3-4-6-12(11)15-13;1-8(2)7-12-11-13-9-5-3-4-6-10(9)14-11;1-9(2)8-13-7-5-10-4-3-6-12-11(10)13;1-9(2)8-13-11-6-4-3-5-10(11)7-12-13;1-9(2)7-13-8-12-10-5-3-4-6-11(10)13;1-8(2)7-13-10-6-4-3-5-9(10)11-12-13;1-7(2)6-10-8-4-3-5-9-8;1-6(2)5-8-7-3-4-10-9-7/h3-8,10H,9H2,1-2H3,(H,14,15);3-6,8H,7H2,1-2H3,(H,12,13);2*3-7,9H,8H2,1-2H3;3-6,8-9H,7H2,1-2H3;3-6,8H,7H2,1-2H3;3-4,7H,5-6H2,1-2H3,(H,9,10);3-4,6H,5H2,1-2H3,(H,8,9)
InChIKeyFOXCQDUJXYBIHS-UHFFFAOYSA-N
XLogP19.77
TPSA196.46 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001382.97
LogP ≤ 519.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 1-(2-methylpropyl)benzimidazole;N-(2-methylpropyl)-1,3-benzothiazol-2-amine;1-(2-methylpropyl)benzotriazole;1-(2-methylpropyl)indazole;N-(2-methylpropyl)-1,2-oxazol-3-amine;N-(2-methylpropyl)-2H-pyrrol-5-amine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;N-(2-methylpropyl)quinolin-2-amine with MolForge

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Related Compounds

N-(1,3-benzothiazol-2-yldiazenyl)-1,3-benzothiazol-2-amine;3-[2-(4-carbamoyl-1-methylpyrazol-3-yl)iminohydrazinyl]-1-methylpyrazole-4-carboxamide;4-ethyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)diazenyl]-5-methyl-1,2,4-triazol-3-amine;5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)diazenyl]-1,2-oxazol-3-amine;6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine;3-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]-1,2,4-thiadiazol-5-amine;N-(1,2,5-oxadiazol-3-yldiazenyl)-1,2,5-oxadiazol-3-amine;1-phenyl-N-[(1-phenyltetrazol-5-yl)diazenyl]tetrazol-5-amine;N-(pyridin-3-yldiazenyl)pyridin-3-amine;N-(quinolin-3-yldiazenyl)quinolin-3-amine
CID 158101215
cumene;2-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole
CID 158765670
potassium;azane;benzene;deuterium monohydride;hydride;1H-indole;methane;decakis(2-methylpropane);molecular hydrogen;1,2-oxazole;1H-pyrazole;pyridine;pyrimidine;quinoline;1,2-thiazole;1,3-thiazole;hydrofluoride;dihydroiodide
CID 158925450
3-amino-4-(2-methylpropylamino)cyclobut-3-ene-1,2-dione;1-(2-methylpropyl)benzimidazole;N-(2-methylpropyl)-1,3-benzothiazol-2-amine;1-(2-methylpropyl)benzotriazole;N-(2-methylpropyl)-1,2-benzoxazol-3-amine;bis(N-(2-methylpropyl)-7H-cyclopenta[d]pyrimidin-4-amine);1-(2-methylpropyl)indazole;N-(2-methylpropyl)-3H-isoindol-1-amine;N-(2-methylpropyl)isoquinolin-1-amine;N-(2-methylpropyl)-1,2-oxazol-3-amine;N-(2-methylpropyl)-2H-pyrrol-5-amine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;N-(2-methylpropyl)quinolin-2-amine
CID 159467223
3-amino-4-(2-methylpropylamino)cyclobut-3-ene-1,2-dione;1-(2-methylpropyl)benzimidazole;N-(2-methylpropyl)-1,3-benzothiazol-2-amine;1-(2-methylpropyl)benzotriazole;N-(2-methylpropyl)-1,2-benzoxazol-3-amine;N-(2-methylpropyl)-7H-cyclopenta[d]pyrimidin-4-amine;1-(2-methylpropyl)indazole;N-(2-methylpropyl)-3H-isoindol-1-amine;N-(2-methylpropyl)-1,2-oxazol-3-amine;N-(2-methylpropyl)-2H-pyrrol-5-amine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;N-(2-methylpropyl)quinolin-2-amine
CID 159559444
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;1-tert-butylisoquinoline;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole
CID 159755186
imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3,4]thiadiazole;imidazo[2,1-b][1,3]thiazole;imidazo[1,2-b][1,2,4]triazine;1H-imidazole;tetrakis(1H-indole);bis(3H-indole);1,2-oxazole;bis(1H-pyrazole);pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyridazine;tris(pyridine);3H-pyrrole;1H-pyrrolo[2,3-b]pyridine;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 159947295
bis(2-methylpropane);5-propan-2-yl-2,3-dihydro-1H-pyrazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine
CID 160135881
butane;butan-2-one;methane;methoxymethane;methyl acetate;2-methyl-1,3-benzothiazole;methylcyclobutane;bis(methylcyclohexane);6-methylimidazo[1,2-b]pyridazine;4-methyl-2-methylidene-1H-pyridine;4-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;4-methylpyrimidine;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;1-methylpyrrolidine;3-methylpyrrolidine;2-methyl-1,3-thiazole;3-methylthiophene;toluene
CID 160140292
N-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;5-ethylsulfanyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-3-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-phenyl-1,3-thiazol-2-amine;3-(1-methylpyrazol-4-yl)-N-(2-phenylpyrazol-3-yl)imidazo[1,2-a]pyrazin-8-amine
CID 161159686
imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-imidazo[4,5-b]pyridine;imidazo[2,1-b][1,3,4]thiadiazole;imidazo[2,1-b][1,3]thiazole;imidazo[1,2-b][1,2,4]triazine;1H-imidazole;tetrakis(1H-indole);bis(3H-indole);1,2-oxazole;bis(1H-pyrazole);pyrazolo[1,5-a]pyrimidine;1H-pyrazolo[5,4-b]pyridine;pyridazine;tris(pyridine);3H-pyrrole;tris(1H-pyrrolo[2,3-b]pyridine);1H-pyrrolo[3,2-b]pyridine;bis(1H-pyrrolo[2,3-c]pyridine);bis(1H-pyrrolo[3,2-c]pyridine);5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 161192298
benzene;1H-benzimidazole;tetradecakis(2,2-dimethylpropane);1H-indole;methane;1,2-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrolo[2,3-b]pyridine;quinoline;1,2-thiazole;1,3-thiazole;thiophene;2H-triazole
CID 161197916

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)benzimidazole;N-(2-methylpropyl)-1,3-benzothiazol-2-amine;1-(2-methylpropyl)benzotriazole;1-(2-methylpropyl)indazole;N-(2-methylpropyl)-1,2-oxazol-3-amine;N-(2-methylpropyl)-2H-pyrrol-5-amine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;N-(2-methylpropyl)quinolin-2-amine?
The IUPAC name of 1-(2-methylpropyl)benzimidazole;N-(2-methylpropyl)-1,3-benzothiazol-2-amine;1-(2-methylpropyl)benzotriazole;1-(2-methylpropyl)indazole;N-(2-methylpropyl)-1,2-oxazol-3-amine;N-(2-methylpropyl)-2H-pyrrol-5-amine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;N-(2-methylpropyl)quinolin-2-amine (CID 158098007) is 1-(2-methylpropyl)benzimidazole;N-(2-methylpropyl)-1,3-benzothiazol-2-amine;1-(2-methylpropyl)benzotriazole;1-(2-methylpropyl)indazole;N-(2-methylpropyl)-1,2-oxazol-3-amine;N-(2-methylpropyl)-2H-pyrrol-5-amine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;N-(2-methylpropyl)quinolin-2-amine.
What is the SMILES notation for 1-(2-methylpropyl)benzimidazole;N-(2-methylpropyl)-1,3-benzothiazol-2-amine;1-(2-methylpropyl)benzotriazole;1-(2-methylpropyl)indazole;N-(2-methylpropyl)-1,2-oxazol-3-amine;N-(2-methylpropyl)-2H-pyrrol-5-amine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;N-(2-methylpropyl)quinolin-2-amine?
The canonical SMILES for 1-(2-methylpropyl)benzimidazole;N-(2-methylpropyl)-1,3-benzothiazol-2-amine;1-(2-methylpropyl)benzotriazole;1-(2-methylpropyl)indazole;N-(2-methylpropyl)-1,2-oxazol-3-amine;N-(2-methylpropyl)-2H-pyrrol-5-amine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;N-(2-methylpropyl)quinolin-2-amine is CC(C)CNC1=NCC=C1.CC(C)CNc1ccc2ccccc2n1.CC(C)CNc1ccon1.CC(C)CNc1nc2ccccc2s1.CC(C)Cn1ccc2cccnc21.CC(C)Cn1cnc2ccccc21.CC(C)Cn1ncc2ccccc21.CC(C)Cn1nnc2ccccc21.
What is the InChIKey of 1-(2-methylpropyl)benzimidazole;N-(2-methylpropyl)-1,3-benzothiazol-2-amine;1-(2-methylpropyl)benzotriazole;1-(2-methylpropyl)indazole;N-(2-methylpropyl)-1,2-oxazol-3-amine;N-(2-methylpropyl)-2H-pyrrol-5-amine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;N-(2-methylpropyl)quinolin-2-amine?
The InChIKey is FOXCQDUJXYBIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C11H14N2S.3C11H14N2.C10H13N3.C8H14N2.C7H12N2O/c1-10(2)9-14-13-8-7-11-5-3-4-6-12(11)15-13;1-8(2)7-12-11-13-9-5-3-4-6-10(9)14-11;1-9(2)8-13-7-5-10-4-3-6-12-11(10)13;1-9(2)8-13-11-6-4-3-5-10(11)7-12-13;1-9(2)7-13-8-12-10-5-3-4-6-11(10)13;1-8(2)7-13-10-6-4-3-5-9(10)11-12-13;1-7(2)6-10-8-4-3-5-9-8;1-6(2)5-8-7-3-4-10-9-7/h3-8,10H,9H2,1-2H3,(H,14,15);3-6,8H,7H2,1-2H3,(H,12,13);2*3-7,9H,8H2,1-2H3;3-6,8-9H,7H2,1-2H3;3-6,8H,7H2,1-2H3;3-4,7H,5-6H2,1-2H3,(H,9,10);3-4,6H,5H2,1-2H3,(H,8,9).
What are the key properties of 1-(2-methylpropyl)benzimidazole;N-(2-methylpropyl)-1,3-benzothiazol-2-amine;1-(2-methylpropyl)benzotriazole;1-(2-methylpropyl)indazole;N-(2-methylpropyl)-1,2-oxazol-3-amine;N-(2-methylpropyl)-2H-pyrrol-5-amine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;N-(2-methylpropyl)quinolin-2-amine?
1-(2-methylpropyl)benzimidazole;N-(2-methylpropyl)-1,3-benzothiazol-2-amine;1-(2-methylpropyl)benzotriazole;1-(2-methylpropyl)indazole;N-(2-methylpropyl)-1,2-oxazol-3-amine;N-(2-methylpropyl)-2H-pyrrol-5-amine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;N-(2-methylpropyl)quinolin-2-amine has a molecular weight of 1382.97 g/mol, XLogP of 19.77, 19 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)benzimidazole;N-(2-methylpropyl)-1,3-benzothiazol-2-amine;1-(2-methylpropyl)benzotriazole;1-(2-methylpropyl)indazole;N-(2-methylpropyl)-1,2-oxazol-3-amine;N-(2-methylpropyl)-2H-pyrrol-5-amine;1-(2-methylpropyl)pyrrolo[2,3-b]pyridine;N-(2-methylpropyl)quinolin-2-amine is sourced from PubChem (CID 158098007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).