7-(aminomethyl)-6-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile

C16H13ClN4 — CID 11572962

IUPAC7-(aminomethyl)-6-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
SMILESCn1cnc2cc(C#N)c(-c3ccccc3Cl)c(CN)c21
InChIInChI=1S/C16H13ClN4/c1-21-9-20-14-6-10(7-18)15(12(8-19)16(14)21)11-4-2-3-5-13(11)17/h2-6,9H,8,19H2,1H3
InChIKeyYJLVMTVZVJSNHG-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.22
Rot. Bonds2

About 7-(aminomethyl)-6-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile

7-(aminomethyl)-6-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile (PubChem CID 11572962) has the molecular formula C16H13ClN4 and a molecular weight of 296.76 g/mol. Its IUPAC name is 7-(aminomethyl)-6-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name7-(aminomethyl)-6-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
PubChem CID11572962
Molecular FormulaC16H13ClN4
Molecular Weight296.76 g/mol
Exact Mass296.08
IUPAC Name7-(aminomethyl)-6-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
SMILESCn1cnc2cc(C#N)c(-c3ccccc3Cl)c(CN)c21
InChIInChI=1S/C16H13ClN4/c1-21-9-20-14-6-10(7-18)15(12(8-19)16(14)21)11-4-2-3-5-13(11)17/h2-6,9H,8,19H2,1H3
InChIKeyYJLVMTVZVJSNHG-UHFFFAOYSA-N
XLogP3.22
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-6-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 7-(aminomethyl)-6-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile (CID 11572962) is 7-(aminomethyl)-6-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 7-(aminomethyl)-6-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 7-(aminomethyl)-6-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile is Cn1cnc2cc(C#N)c(-c3ccccc3Cl)c(CN)c21.
What is the InChIKey of 7-(aminomethyl)-6-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile?
The InChIKey is YJLVMTVZVJSNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4/c1-21-9-20-14-6-10(7-18)15(12(8-19)16(14)21)11-4-2-3-5-13(11)17/h2-6,9H,8,19H2,1H3.
What are the key properties of 7-(aminomethyl)-6-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile?
7-(aminomethyl)-6-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile has a molecular weight of 296.76 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-6-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 11572962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).