N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide

C23H21N3O2 — CID 17008696

IUPACN-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C23H21N3O2/c1-28-19-13-11-18(12-14-19)23(27)24-15-22-25-20-9-5-6-10-21(20)26(22)16-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,24,27)
InChIKeyCBWBYICQYQOEGT-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.02
Rot. Bonds6

About N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide

N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide (PubChem CID 17008696) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
PubChem CID17008696
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C23H21N3O2/c1-28-19-13-11-18(12-14-19)23(27)24-15-22-25-20-9-5-6-10-21(20)26(22)16-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,24,27)
InChIKeyCBWBYICQYQOEGT-UHFFFAOYSA-N
XLogP4.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide 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
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17009016
4-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide
CID 17008719
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061
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-methoxy-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976706
ethyl 2-[2-[[(4-methoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008827
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976701
4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984748
4-methoxy-N-[2-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976709
4-methoxy-N-[[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008749

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide?
The IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide (CID 17008696) is N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide?
The canonical SMILES for N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2)cc1.
What is the InChIKey of N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide?
The InChIKey is CBWBYICQYQOEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-28-19-13-11-18(12-14-19)23(27)24-15-22-25-20-9-5-6-10-21(20)26(22)16-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,24,27).
What are the key properties of N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide?
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide has a molecular weight of 371.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 17008696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).