4-[(2-benzylbenzimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide

C28H24N4O — CID 42810755

IUPAC4-[(2-benzylbenzimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C28H24N4O/c33-28(30-19-22-14-16-29-17-15-22)24-12-10-23(11-13-24)20-32-26-9-5-4-8-25(26)31-27(32)18-21-6-2-1-3-7-21/h1-17H,18-20H2,(H,30,33)
InChIKeyQKAFAYXAQRBVNW-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.00
Rot. Bonds7

About 4-[(2-benzylbenzimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide

4-[(2-benzylbenzimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 42810755) has the molecular formula C28H24N4O and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-[(2-benzylbenzimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(2-benzylbenzimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID42810755
Molecular FormulaC28H24N4O
Molecular Weight432.53 g/mol
Exact Mass432.20
IUPAC Name4-[(2-benzylbenzimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C28H24N4O/c33-28(30-19-22-14-16-29-17-15-22)24-12-10-23(11-13-24)20-32-26-9-5-4-8-25(26)31-27(32)18-21-6-2-1-3-7-21/h1-17H,18-20H2,(H,30,33)
InChIKeyQKAFAYXAQRBVNW-UHFFFAOYSA-N
XLogP5.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2-benzylbenzimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)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-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965557
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
CID 17008696
4-[(2-benzylbenzimidazol-1-yl)methyl]-N-[(2S)-butan-2-yl]benzamide
CID 94013681
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17006669
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965555
N-[2-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965888
N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032565
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17009016
4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008866
N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007129
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541

Frequently Asked Questions

What is the IUPAC name of 4-[(2-benzylbenzimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-[(2-benzylbenzimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide (CID 42810755) is 4-[(2-benzylbenzimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-[(2-benzylbenzimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-[(2-benzylbenzimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide is O=C(NCc1ccncc1)c1ccc(Cn2c(Cc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 4-[(2-benzylbenzimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is QKAFAYXAQRBVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O/c33-28(30-19-22-14-16-29-17-15-22)24-12-10-23(11-13-24)20-32-26-9-5-4-8-25(26)31-27(32)18-21-6-2-1-3-7-21/h1-17H,18-20H2,(H,30,33).
What are the key properties of 4-[(2-benzylbenzimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide?
4-[(2-benzylbenzimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 432.53 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-benzylbenzimidazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 42810755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).