2-(5-methylthiophen-2-yl)-1-propylbenzimidazole-5-carbonitrile

C16H15N3S — CID 65040636

IUPAC2-(5-methylthiophen-2-yl)-1-propylbenzimidazole-5-carbonitrile
SMILESCCCn1c(-c2ccc(C)s2)nc2cc(C#N)ccc21
InChIInChI=1S/C16H15N3S/c1-3-8-19-14-6-5-12(10-17)9-13(14)18-16(19)15-7-4-11(2)20-15/h4-7,9H,3,8H2,1-2H3
InChIKeyHIJYYNXPXQKWLU-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.35
Rot. Bonds3

About 2-(5-methylthiophen-2-yl)-1-propylbenzimidazole-5-carbonitrile

2-(5-methylthiophen-2-yl)-1-propylbenzimidazole-5-carbonitrile (PubChem CID 65040636) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-1-propylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-1-propylbenzimidazole-5-carbonitrile
PubChem CID65040636
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name2-(5-methylthiophen-2-yl)-1-propylbenzimidazole-5-carbonitrile
SMILESCCCn1c(-c2ccc(C)s2)nc2cc(C#N)ccc21
InChIInChI=1S/C16H15N3S/c1-3-8-19-14-6-5-12(10-17)9-13(14)18-16(19)15-7-4-11(2)20-15/h4-7,9H,3,8H2,1-2H3
InChIKeyHIJYYNXPXQKWLU-UHFFFAOYSA-N
XLogP4.35
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040444
2-(5-methylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040215
2-(2-methyl-4-pyridinyl)-1-propylbenzimidazole-5-carbonitrile
CID 106754381
2-(2-fluorophenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040443
2-(3-fluorophenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040309
2-(5-cyano-1-propylbenzimidazol-2-yl)benzoic acid
CID 4915316
2-[(1S)-1-hydroxyethyl]-1-propylbenzimidazole-5-carbonitrile
CID 66263869
2-(ethoxymethyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040254
2-(propoxymethyl)-1-propylbenzimidazole-5-carbonitrile
CID 107941810
2-(2,2-dimethylcyclopropyl)-1-propylbenzimidazole-5-carbonitrile
CID 107003447
2-(5-ethylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040081
2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile
CID 65040307

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-1-propylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(5-methylthiophen-2-yl)-1-propylbenzimidazole-5-carbonitrile (CID 65040636) is 2-(5-methylthiophen-2-yl)-1-propylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-1-propylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-1-propylbenzimidazole-5-carbonitrile is CCCn1c(-c2ccc(C)s2)nc2cc(C#N)ccc21.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-1-propylbenzimidazole-5-carbonitrile?
The InChIKey is HIJYYNXPXQKWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-3-8-19-14-6-5-12(10-17)9-13(14)18-16(19)15-7-4-11(2)20-15/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-1-propylbenzimidazole-5-carbonitrile?
2-(5-methylthiophen-2-yl)-1-propylbenzimidazole-5-carbonitrile has a molecular weight of 281.38 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-1-propylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 65040636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).