1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile

C16H13N3S — CID 79808607

IUPAC1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile
SMILESCc1cscc1-c1nc2cc(C#N)ccc2n1C1CC1
InChIInChI=1S/C16H13N3S/c1-10-8-20-9-13(10)16-18-14-6-11(7-17)2-5-15(14)19(16)12-3-4-12/h2,5-6,8-9,12H,3-4H2,1H3
InChIKeyFIFDOPQRVYXRBL-UHFFFAOYSA-N
MW279.37 g/mol
LogP4.28
Rot. Bonds2

About 1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile

1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile (PubChem CID 79808607) has the molecular formula C16H13N3S and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile
PubChem CID79808607
Molecular FormulaC16H13N3S
Molecular Weight279.37 g/mol
Exact Mass279.08
IUPAC Name1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile
SMILESCc1cscc1-c1nc2cc(C#N)ccc2n1C1CC1
InChIInChI=1S/C16H13N3S/c1-10-8-20-9-13(10)16-18-14-6-11(7-17)2-5-15(14)19(16)12-3-4-12/h2,5-6,8-9,12H,3-4H2,1H3
InChIKeyFIFDOPQRVYXRBL-UHFFFAOYSA-N
XLogP4.28
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile
CID 79807966
1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile
CID 65040414
1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile
CID 28693642
1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)benzimidazole-5-carbonitrile
CID 65040130
2-(2-bromofuran-3-yl)-1-cyclopropylbenzimidazole-5-carbonitrile
CID 106856275
1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile
CID 114823633
1-cyclopropyl-2-[(1S)-1-hydroxyethyl]benzimidazole-5-carbonitrile
CID 66263871
1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile
CID 83151476
1-cyclopropyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole-5-carbonitrile
CID 115950372
1-cyclopropyl-2-(propoxymethyl)benzimidazole-5-carbonitrile
CID 107941812
1-cyclopropyl-2-hexylbenzimidazole-5-carbonitrile
CID 114754152
1-cyclopropyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile
CID 79756124

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile?
The IUPAC name of 1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile (CID 79808607) is 1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile?
The canonical SMILES for 1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile is Cc1cscc1-c1nc2cc(C#N)ccc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile?
The InChIKey is FIFDOPQRVYXRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3S/c1-10-8-20-9-13(10)16-18-14-6-11(7-17)2-5-15(14)19(16)12-3-4-12/h2,5-6,8-9,12H,3-4H2,1H3.
What are the key properties of 1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile?
1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile has a molecular weight of 279.37 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 79808607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).