1-ethyl-2-methylbenzimidazole-5-carbonitrile

C11H11N3 — CID 722385

IUPAC1-ethyl-2-methylbenzimidazole-5-carbonitrile
SMILESCCn1c(C)nc2cc(C#N)ccc21
InChIInChI=1S/C11H11N3/c1-3-14-8(2)13-10-6-9(7-12)4-5-11(10)14/h4-6H,3H2,1-2H3
InChIKeyCRSLXELXHYBDGN-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.24
Rot. Bonds1

About 1-ethyl-2-methylbenzimidazole-5-carbonitrile

1-ethyl-2-methylbenzimidazole-5-carbonitrile (PubChem CID 722385) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-ethyl-2-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-methylbenzimidazole-5-carbonitrile
PubChem CID722385
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name1-ethyl-2-methylbenzimidazole-5-carbonitrile
SMILESCCn1c(C)nc2cc(C#N)ccc21
InChIInChI=1S/C11H11N3/c1-3-14-8(2)13-10-6-9(7-12)4-5-11(10)14/h4-6H,3H2,1-2H3
InChIKeyCRSLXELXHYBDGN-UHFFFAOYSA-N
XLogP2.24
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 1-ethyl-2-methylbenzimidazole-5-carbonitrile (CID 722385) is 1-ethyl-2-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 1-ethyl-2-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 1-ethyl-2-methylbenzimidazole-5-carbonitrile is CCn1c(C)nc2cc(C#N)ccc21.
What is the InChIKey of 1-ethyl-2-methylbenzimidazole-5-carbonitrile?
The InChIKey is CRSLXELXHYBDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-3-14-8(2)13-10-6-9(7-12)4-5-11(10)14/h4-6H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-methylbenzimidazole-5-carbonitrile?
1-ethyl-2-methylbenzimidazole-5-carbonitrile has a molecular weight of 185.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 722385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).