1H-benzimidazole;cumene;imidazo[1,2-a]pyridine;bis(1H-imidazole);henicosakis(2-methylpropane);1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole

C134H265N17OS — CID 157457971

IUPAC1H-benzimidazole;cumene;imidazo[1,2-a]pyridine;bis(1H-imidazole);henicosakis(2-methylpropane);1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccccc1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]cnc2c1.c1ccn2ccnc2c1.c1ccncc1.c1cncnc1.c1cocn1.c1cscn1.c1nc[nH]n1
InChIInChI=1S/C9H12.2C7H6N2.C5H5N.C4H4N2.C4H5N.21C4H10.2C3H4N2.C3H3NO.C3H3NS.C2H3N3/c1-8(2)9-6-4-3-5-7-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-5-3-1;21*1-4(2)3;4*1-2-5-3-4-1;1-3-2-5-4-1/h3-8H,1-2H3;1-6H;1-5H,(H,8,9);1-5H;1-4H;1-5H;21*4H,1-3H3;2*1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5)
InChIKeyBTOVEKHYEHKBQT-UHFFFAOYSA-N
MW2162.78 g/mol
LogP45.63
Rot. Bonds1

About 1H-benzimidazole;cumene;imidazo[1,2-a]pyridine;bis(1H-imidazole);henicosakis(2-methylpropane);1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole

1H-benzimidazole;cumene;imidazo[1,2-a]pyridine;bis(1H-imidazole);henicosakis(2-methylpropane);1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole (PubChem CID 157457971) has the molecular formula C134H265N17OS and a molecular weight of 2162.78 g/mol. Its IUPAC name is 1H-benzimidazole;cumene;imidazo[1,2-a]pyridine;bis(1H-imidazole);henicosakis(2-methylpropane);1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole.

Molecular Properties

Compound Name1H-benzimidazole;cumene;imidazo[1,2-a]pyridine;bis(1H-imidazole);henicosakis(2-methylpropane);1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole
PubChem CID157457971
Molecular FormulaC134H265N17OS
Molecular Weight2162.78 g/mol
Exact Mass2161.09
IUPAC Name1H-benzimidazole;cumene;imidazo[1,2-a]pyridine;bis(1H-imidazole);henicosakis(2-methylpropane);1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccccc1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]cnc2c1.c1ccn2ccnc2c1.c1ccncc1.c1cncnc1.c1cocn1.c1cscn1.c1nc[nH]n1
InChIInChI=1S/C9H12.2C7H6N2.C5H5N.C4H4N2.C4H5N.21C4H10.2C3H4N2.C3H3NO.C3H3NS.C2H3N3/c1-8(2)9-6-4-3-5-7-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-5-3-1;21*1-4(2)3;4*1-2-5-3-4-1;1-3-2-5-4-1/h3-8H,1-2H3;1-6H;1-5H,(H,8,9);1-5H;1-4H;1-5H;21*4H,1-3H3;2*1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5)
InChIKeyBTOVEKHYEHKBQT-UHFFFAOYSA-N
XLogP45.63
TPSA238.29 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds1
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002162.78
LogP ≤ 545.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 1H-benzimidazole;cumene;imidazo[1,2-a]pyridine;bis(1H-imidazole);henicosakis(2-methylpropane);1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole with MolForge

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Related Compounds

cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161987398
2-(2,6-difluorophenyl)-5-(2-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-pyrrolo[2,3-b]pyridine;2-[4-[2-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole
CID 89650992
2-[2-(1H-imidazol-2-yl)-3-piperidin-1-yl-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)pyrrol-1-yl]-1,3-oxazole
CID 141013614
2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-7-(1,3-thiazol-2-yl)indol-1-yl]-1,3-oxazole
CID 141050919
2-[5-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-2-pyridin-2-yl-4-(1,3-thiazolidin-2-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-3-yl]-1,3-oxazole
CID 141054325
2-[1-(9H-carbazol-1-yl)-1-(1H-imidazol-2-yl)-1-(7H-purin-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,2,5-thiadiazol-1-yl]-1,3-oxazole
CID 141080147
2-[2-(1H-benzimidazol-2-yl)-8-(1,3-benzothiazol-2-yl)-4-(1H-imidazol-2-yl)-1-pyrazin-2-yl-9-(1H-pyrazol-5-yl)-6-pyridazin-3-yl-3-pyrimidin-2-ylpurin-2-yl]-1,3-oxazole
CID 141157870
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole
CID 157077798
bis(2,6-dimethyl-1H-benzimidazole);bis(2,5-dimethyl-1H-imidazo[4,5-b]pyridine);tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole)
CID 157265012
2,3-di(propan-2-yl)-1H-imidazo[1,5-a]imidazole;5,6-di(propan-2-yl)-7H-imidazo[1,2-a]imidazole;2,3-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,3-di(propan-2-yl)imidazo[1,2-a]pyridine;2,3-di(propan-2-yl)imidazo[1,2-a]pyrimidine;6,7-di(propan-2-yl)imidazo[1,2-a][1,3,5]triazine;5,6-di(propan-2-yl)imidazo[2,1-b][1,3]oxazole;2,3-di(propan-2-yl)imidazo[1,2-b]pyridazine;5,6-di(propan-2-yl)imidazo[2,1-b][1,3]thiazole;6,7-di(propan-2-yl)imidazo[1,2-b][1,2,4]triazine;2,3-di(propan-2-yl)imidazo[1,2-c]pyrimidine;6,7-di(propan-2-yl)imidazo[2,1-c][1,2,4]triazine;5,6-di(propan-2-yl)-1H-imidazo[2,1-c][1,2,4]triazole;5,6-di(propan-2-yl)imidazo[1,2-d][1,2,4]oxadiazole;2,3-di(propan-2-yl)imidazo[1,2-d][1,2,4]triazine;6,7-di(propan-2-yl)imidazo[2,1-f][1,2,4]triazine;2,3-di(propan-2-yl)-1H-pyrrolo[1,2-a]imidazole
CID 157313547
tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;2H-pyrrole;3H-pyrrolo[3,2-b]pyridine;bis(7H-pyrrolo[3,4-d]pyrimidine);1,3-thiazole
CID 157417324
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-3H-imidazo[4,5-b]pyrazine;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;2,8-dimethyl-7H-purine;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane
CID 157422107

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;cumene;imidazo[1,2-a]pyridine;bis(1H-imidazole);henicosakis(2-methylpropane);1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole?
The IUPAC name of 1H-benzimidazole;cumene;imidazo[1,2-a]pyridine;bis(1H-imidazole);henicosakis(2-methylpropane);1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole (CID 157457971) is 1H-benzimidazole;cumene;imidazo[1,2-a]pyridine;bis(1H-imidazole);henicosakis(2-methylpropane);1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole.
What is the SMILES notation for 1H-benzimidazole;cumene;imidazo[1,2-a]pyridine;bis(1H-imidazole);henicosakis(2-methylpropane);1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole?
The canonical SMILES for 1H-benzimidazole;cumene;imidazo[1,2-a]pyridine;bis(1H-imidazole);henicosakis(2-methylpropane);1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccccc1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]cnc2c1.c1ccn2ccnc2c1.c1ccncc1.c1cncnc1.c1cocn1.c1cscn1.c1nc[nH]n1.
What is the InChIKey of 1H-benzimidazole;cumene;imidazo[1,2-a]pyridine;bis(1H-imidazole);henicosakis(2-methylpropane);1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole?
The InChIKey is BTOVEKHYEHKBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.2C7H6N2.C5H5N.C4H4N2.C4H5N.21C4H10.2C3H4N2.C3H3NO.C3H3NS.C2H3N3/c1-8(2)9-6-4-3-5-7-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-5-3-1;21*1-4(2)3;4*1-2-5-3-4-1;1-3-2-5-4-1/h3-8H,1-2H3;1-6H;1-5H,(H,8,9);1-5H;1-4H;1-5H;21*4H,1-3H3;2*1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5).
What are the key properties of 1H-benzimidazole;cumene;imidazo[1,2-a]pyridine;bis(1H-imidazole);henicosakis(2-methylpropane);1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole?
1H-benzimidazole;cumene;imidazo[1,2-a]pyridine;bis(1H-imidazole);henicosakis(2-methylpropane);1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole has a molecular weight of 2162.78 g/mol, XLogP of 45.63, 1 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;cumene;imidazo[1,2-a]pyridine;bis(1H-imidazole);henicosakis(2-methylpropane);1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole is sourced from PubChem (CID 157457971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).