1-(2-methylpropyl)-2-(4-methyl-1,3-thiazol-5-yl)benzimidazole-5-carbonitrile

C16H16N4S — CID 65040190

IUPAC1-(2-methylpropyl)-2-(4-methyl-1,3-thiazol-5-yl)benzimidazole-5-carbonitrile
SMILESCc1ncsc1-c1nc2cc(C#N)ccc2n1CC(C)C
InChIInChI=1S/C16H16N4S/c1-10(2)8-20-14-5-4-12(7-17)6-13(14)19-16(20)15-11(3)18-9-21-15/h4-6,9-10H,8H2,1-3H3
InChIKeyYBSIOGUZRZGAEA-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.00
Rot. Bonds3

About 1-(2-methylpropyl)-2-(4-methyl-1,3-thiazol-5-yl)benzimidazole-5-carbonitrile

1-(2-methylpropyl)-2-(4-methyl-1,3-thiazol-5-yl)benzimidazole-5-carbonitrile (PubChem CID 65040190) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-(4-methyl-1,3-thiazol-5-yl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-(4-methyl-1,3-thiazol-5-yl)benzimidazole-5-carbonitrile
PubChem CID65040190
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name1-(2-methylpropyl)-2-(4-methyl-1,3-thiazol-5-yl)benzimidazole-5-carbonitrile
SMILESCc1ncsc1-c1nc2cc(C#N)ccc2n1CC(C)C
InChIInChI=1S/C16H16N4S/c1-10(2)8-20-14-5-4-12(7-17)6-13(14)19-16(20)15-11(3)18-9-21-15/h4-6,9-10H,8H2,1-3H3
InChIKeyYBSIOGUZRZGAEA-UHFFFAOYSA-N
XLogP4.00
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-bis(2-methylpropyl)benzimidazole-5-carbonitrile
CID 65040568
2-(2-bromofuran-3-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile
CID 106856277
1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonitrile
CID 65040473
1-(2-methylpropyl)-2-(thiophen-3-ylmethyl)benzimidazole-5-carbonitrile
CID 65040709
2-(2,2-dimethylcyclopropyl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile
CID 107003451
2-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile
CID 65040523
1-(2-methylpropyl)-2-(propoxymethyl)benzimidazole-5-carbonitrile
CID 107941814
1-(2-methylpropyl)-2-(thiolan-3-yl)benzimidazole-5-carbonitrile
CID 65040284
2-(hydroxymethyl)-1-(3-methylbutyl)benzimidazole-5-carbonitrile
CID 68764810
1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile
CID 65040158
1-ethyl-2-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040248
1-(2-methylpropyl)-2-(oxolan-2-ylmethyl)benzimidazole-5-carbonitrile
CID 65159654

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-(4-methyl-1,3-thiazol-5-yl)benzimidazole-5-carbonitrile?
The IUPAC name of 1-(2-methylpropyl)-2-(4-methyl-1,3-thiazol-5-yl)benzimidazole-5-carbonitrile (CID 65040190) is 1-(2-methylpropyl)-2-(4-methyl-1,3-thiazol-5-yl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-(2-methylpropyl)-2-(4-methyl-1,3-thiazol-5-yl)benzimidazole-5-carbonitrile?
The canonical SMILES for 1-(2-methylpropyl)-2-(4-methyl-1,3-thiazol-5-yl)benzimidazole-5-carbonitrile is Cc1ncsc1-c1nc2cc(C#N)ccc2n1CC(C)C.
What is the InChIKey of 1-(2-methylpropyl)-2-(4-methyl-1,3-thiazol-5-yl)benzimidazole-5-carbonitrile?
The InChIKey is YBSIOGUZRZGAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-10(2)8-20-14-5-4-12(7-17)6-13(14)19-16(20)15-11(3)18-9-21-15/h4-6,9-10H,8H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-2-(4-methyl-1,3-thiazol-5-yl)benzimidazole-5-carbonitrile?
1-(2-methylpropyl)-2-(4-methyl-1,3-thiazol-5-yl)benzimidazole-5-carbonitrile has a molecular weight of 296.40 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-(4-methyl-1,3-thiazol-5-yl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 65040190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).