[5-(2-chlorophenyl)-3-methyl-2-pyridin-3-ylbenzimidazol-4-yl]methanamine

C20H17ClN4 — CID 11602707

IUPAC[5-(2-chlorophenyl)-3-methyl-2-pyridin-3-ylbenzimidazol-4-yl]methanamine
SMILESCn1c(-c2cccnc2)nc2ccc(-c3ccccc3Cl)c(CN)c21
InChIInChI=1S/C20H17ClN4/c1-25-19-16(11-22)14(15-6-2-3-7-17(15)21)8-9-18(19)24-20(25)13-5-4-10-23-12-13/h2-10,12H,11,22H2,1H3
InChIKeyBRDWZFWBRYJXAD-UHFFFAOYSA-N
MW348.84 g/mol
LogP4.41
Rot. Bonds3

About [5-(2-chlorophenyl)-3-methyl-2-pyridin-3-ylbenzimidazol-4-yl]methanamine

[5-(2-chlorophenyl)-3-methyl-2-pyridin-3-ylbenzimidazol-4-yl]methanamine (PubChem CID 11602707) has the molecular formula C20H17ClN4 and a molecular weight of 348.84 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-3-methyl-2-pyridin-3-ylbenzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-3-methyl-2-pyridin-3-ylbenzimidazol-4-yl]methanamine
PubChem CID11602707
Molecular FormulaC20H17ClN4
Molecular Weight348.84 g/mol
Exact Mass348.11
IUPAC Name[5-(2-chlorophenyl)-3-methyl-2-pyridin-3-ylbenzimidazol-4-yl]methanamine
SMILESCn1c(-c2cccnc2)nc2ccc(-c3ccccc3Cl)c(CN)c21
InChIInChI=1S/C20H17ClN4/c1-25-19-16(11-22)14(15-6-2-3-7-17(15)21)8-9-18(19)24-20(25)13-5-4-10-23-12-13/h2-10,12H,11,22H2,1H3
InChIKeyBRDWZFWBRYJXAD-UHFFFAOYSA-N
XLogP4.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(2-chlorophenyl)-3-methyl-2-pyridin-3-ylbenzimidazol-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-3-methyl-2-pyridin-3-ylbenzimidazol-4-yl]methanamine?
The IUPAC name of [5-(2-chlorophenyl)-3-methyl-2-pyridin-3-ylbenzimidazol-4-yl]methanamine (CID 11602707) is [5-(2-chlorophenyl)-3-methyl-2-pyridin-3-ylbenzimidazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-chlorophenyl)-3-methyl-2-pyridin-3-ylbenzimidazol-4-yl]methanamine?
The canonical SMILES for [5-(2-chlorophenyl)-3-methyl-2-pyridin-3-ylbenzimidazol-4-yl]methanamine is Cn1c(-c2cccnc2)nc2ccc(-c3ccccc3Cl)c(CN)c21.
What is the InChIKey of [5-(2-chlorophenyl)-3-methyl-2-pyridin-3-ylbenzimidazol-4-yl]methanamine?
The InChIKey is BRDWZFWBRYJXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4/c1-25-19-16(11-22)14(15-6-2-3-7-17(15)21)8-9-18(19)24-20(25)13-5-4-10-23-12-13/h2-10,12H,11,22H2,1H3.
What are the key properties of [5-(2-chlorophenyl)-3-methyl-2-pyridin-3-ylbenzimidazol-4-yl]methanamine?
[5-(2-chlorophenyl)-3-methyl-2-pyridin-3-ylbenzimidazol-4-yl]methanamine has a molecular weight of 348.84 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-3-methyl-2-pyridin-3-ylbenzimidazol-4-yl]methanamine is sourced from PubChem (CID 11602707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).