1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile

C12H11N3 — CID 28693642

IUPAC1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile
SMILESCc1nc2cc(C#N)ccc2n1C1CC1
InChIInChI=1S/C12H11N3/c1-8-14-11-6-9(7-13)2-5-12(11)15(8)10-3-4-10/h2,5-6,10H,3-4H2,1H3
InChIKeyRYHGFVIXEXFHJP-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.55
Rot. Bonds1

About 1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile

1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile (PubChem CID 28693642) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile
PubChem CID28693642
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile
SMILESCc1nc2cc(C#N)ccc2n1C1CC1
InChIInChI=1S/C12H11N3/c1-8-14-11-6-9(7-13)2-5-12(11)15(8)10-3-4-10/h2,5-6,10H,3-4H2,1H3
InChIKeyRYHGFVIXEXFHJP-UHFFFAOYSA-N
XLogP2.55
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile (CID 28693642) is 1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile is Cc1nc2cc(C#N)ccc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile?
The InChIKey is RYHGFVIXEXFHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-8-14-11-6-9(7-13)2-5-12(11)15(8)10-3-4-10/h2,5-6,10H,3-4H2,1H3.
What are the key properties of 1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile?
1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile has a molecular weight of 197.24 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 28693642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).