3-methyl-5-phenylbenzimidazole-4-carbonitrile

C15H11N3 — CID 11572194

IUPAC3-methyl-5-phenylbenzimidazole-4-carbonitrile
SMILESCn1cnc2ccc(-c3ccccc3)c(C#N)c21
InChIInChI=1S/C15H11N3/c1-18-10-17-14-8-7-12(13(9-16)15(14)18)11-5-3-2-4-6-11/h2-8,10H,1H3
InChIKeyRTXBNMYXHKAWCU-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.11
Rot. Bonds1

About 3-methyl-5-phenylbenzimidazole-4-carbonitrile

3-methyl-5-phenylbenzimidazole-4-carbonitrile (PubChem CID 11572194) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-methyl-5-phenylbenzimidazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-5-phenylbenzimidazole-4-carbonitrile
PubChem CID11572194
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name3-methyl-5-phenylbenzimidazole-4-carbonitrile
SMILESCn1cnc2ccc(-c3ccccc3)c(C#N)c21
InChIInChI=1S/C15H11N3/c1-18-10-17-14-8-7-12(13(9-16)15(14)18)11-5-3-2-4-6-11/h2-8,10H,1H3
InChIKeyRTXBNMYXHKAWCU-UHFFFAOYSA-N
XLogP3.11
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenylbenzimidazole-4-carbonitrile?
The IUPAC name of 3-methyl-5-phenylbenzimidazole-4-carbonitrile (CID 11572194) is 3-methyl-5-phenylbenzimidazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-5-phenylbenzimidazole-4-carbonitrile?
The canonical SMILES for 3-methyl-5-phenylbenzimidazole-4-carbonitrile is Cn1cnc2ccc(-c3ccccc3)c(C#N)c21.
What is the InChIKey of 3-methyl-5-phenylbenzimidazole-4-carbonitrile?
The InChIKey is RTXBNMYXHKAWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c1-18-10-17-14-8-7-12(13(9-16)15(14)18)11-5-3-2-4-6-11/h2-8,10H,1H3.
What are the key properties of 3-methyl-5-phenylbenzimidazole-4-carbonitrile?
3-methyl-5-phenylbenzimidazole-4-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenylbenzimidazole-4-carbonitrile is sourced from PubChem (CID 11572194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).