4-(aminomethyl)-5-(2-chlorophenyl)-3-methyl-1H-benzimidazol-2-one

C15H14ClN3O — CID 11529375

IUPAC4-(aminomethyl)-5-(2-chlorophenyl)-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2ccc(-c3ccccc3Cl)c(CN)c21
InChIInChI=1S/C15H14ClN3O/c1-19-14-11(8-17)9(6-7-13(14)18-15(19)20)10-4-2-3-5-12(10)16/h2-7H,8,17H2,1H3,(H,18,20)
InChIKeyGEVVWJJNGGEZOW-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.65
Rot. Bonds2

About 4-(aminomethyl)-5-(2-chlorophenyl)-3-methyl-1H-benzimidazol-2-one

4-(aminomethyl)-5-(2-chlorophenyl)-3-methyl-1H-benzimidazol-2-one (PubChem CID 11529375) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 4-(aminomethyl)-5-(2-chlorophenyl)-3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-5-(2-chlorophenyl)-3-methyl-1H-benzimidazol-2-one
PubChem CID11529375
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name4-(aminomethyl)-5-(2-chlorophenyl)-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2ccc(-c3ccccc3Cl)c(CN)c21
InChIInChI=1S/C15H14ClN3O/c1-19-14-11(8-17)9(6-7-13(14)18-15(19)20)10-4-2-3-5-12(10)16/h2-7H,8,17H2,1H3,(H,18,20)
InChIKeyGEVVWJJNGGEZOW-UHFFFAOYSA-N
XLogP2.65
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-5-(2-chlorophenyl)-3-methyl-1H-benzimidazol-2-one 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 4-(aminomethyl)-5-(2-chlorophenyl)-3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 4-(aminomethyl)-5-(2-chlorophenyl)-3-methyl-1H-benzimidazol-2-one (CID 11529375) is 4-(aminomethyl)-5-(2-chlorophenyl)-3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 4-(aminomethyl)-5-(2-chlorophenyl)-3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 4-(aminomethyl)-5-(2-chlorophenyl)-3-methyl-1H-benzimidazol-2-one is Cn1c(=O)[nH]c2ccc(-c3ccccc3Cl)c(CN)c21.
What is the InChIKey of 4-(aminomethyl)-5-(2-chlorophenyl)-3-methyl-1H-benzimidazol-2-one?
The InChIKey is GEVVWJJNGGEZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-19-14-11(8-17)9(6-7-13(14)18-15(19)20)10-4-2-3-5-12(10)16/h2-7H,8,17H2,1H3,(H,18,20).
What are the key properties of 4-(aminomethyl)-5-(2-chlorophenyl)-3-methyl-1H-benzimidazol-2-one?
4-(aminomethyl)-5-(2-chlorophenyl)-3-methyl-1H-benzimidazol-2-one has a molecular weight of 287.75 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-(2-chlorophenyl)-3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 11529375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).