1-methyl-2-thiophen-3-ylbenzimidazole-5-carbonitrile

C13H9N3S — CID 65035369

IUPAC1-methyl-2-thiophen-3-ylbenzimidazole-5-carbonitrile
SMILESCn1c(-c2ccsc2)nc2cc(C#N)ccc21
InChIInChI=1S/C13H9N3S/c1-16-12-3-2-9(7-14)6-11(12)15-13(16)10-4-5-17-8-10/h2-6,8H,1H3
InChIKeyQKVRZBHTRKSDIP-UHFFFAOYSA-N
MW239.30 g/mol
LogP3.17
Rot. Bonds1

About 1-methyl-2-thiophen-3-ylbenzimidazole-5-carbonitrile

1-methyl-2-thiophen-3-ylbenzimidazole-5-carbonitrile (PubChem CID 65035369) has the molecular formula C13H9N3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-methyl-2-thiophen-3-ylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-thiophen-3-ylbenzimidazole-5-carbonitrile
PubChem CID65035369
Molecular FormulaC13H9N3S
Molecular Weight239.30 g/mol
Exact Mass239.05
IUPAC Name1-methyl-2-thiophen-3-ylbenzimidazole-5-carbonitrile
SMILESCn1c(-c2ccsc2)nc2cc(C#N)ccc21
InChIInChI=1S/C13H9N3S/c1-16-12-3-2-9(7-14)6-11(12)15-13(16)10-4-5-17-8-10/h2-6,8H,1H3
InChIKeyQKVRZBHTRKSDIP-UHFFFAOYSA-N
XLogP3.17
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-thiophen-3-ylbenzimidazole-5-carbonitrile?
The IUPAC name of 1-methyl-2-thiophen-3-ylbenzimidazole-5-carbonitrile (CID 65035369) is 1-methyl-2-thiophen-3-ylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 1-methyl-2-thiophen-3-ylbenzimidazole-5-carbonitrile?
The canonical SMILES for 1-methyl-2-thiophen-3-ylbenzimidazole-5-carbonitrile is Cn1c(-c2ccsc2)nc2cc(C#N)ccc21.
What is the InChIKey of 1-methyl-2-thiophen-3-ylbenzimidazole-5-carbonitrile?
The InChIKey is QKVRZBHTRKSDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3S/c1-16-12-3-2-9(7-14)6-11(12)15-13(16)10-4-5-17-8-10/h2-6,8H,1H3.
What are the key properties of 1-methyl-2-thiophen-3-ylbenzimidazole-5-carbonitrile?
1-methyl-2-thiophen-3-ylbenzimidazole-5-carbonitrile has a molecular weight of 239.30 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-thiophen-3-ylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 65035369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).