4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide

C23H20ClN3O2 — CID 17009016

IUPAC4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
SMILESCOc1ccc(Cn2c(CNC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C23H20ClN3O2/c1-29-19-12-6-16(7-13-19)15-27-21-5-3-2-4-20(21)26-22(27)14-25-23(28)17-8-10-18(24)11-9-17/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyHGBKMRAKROFYPZ-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.68
Rot. Bonds6

About 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide

4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17009016) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17009016
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC Name4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
SMILESCOc1ccc(Cn2c(CNC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C23H20ClN3O2/c1-29-19-12-6-16(7-13-19)15-27-21-5-3-2-4-20(21)26-22(27)14-25-23(28)17-8-10-18(24)11-9-17/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyHGBKMRAKROFYPZ-UHFFFAOYSA-N
XLogP4.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17006669
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
CID 17008696
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061
4-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide
CID 17008719
N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965557
N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008546
4-methoxy-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976706
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006058
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973758
4-chloro-N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 5061788
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976701
N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007129

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide (CID 17009016) is 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide is COc1ccc(Cn2c(CNC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1.
What is the InChIKey of 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is HGBKMRAKROFYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-29-19-12-6-16(7-13-19)15-27-21-5-3-2-4-20(21)26-22(27)14-25-23(28)17-8-10-18(24)11-9-17/h2-13H,14-15H2,1H3,(H,25,28).
What are the key properties of 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 405.89 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17009016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).