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

C23H21N3O2 — CID 17006669

IUPACN-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
SMILESCOc1ccc(Cn2c(CNC(=O)c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C23H21N3O2/c1-28-19-13-11-17(12-14-19)16-26-21-10-6-5-9-20(21)25-22(26)15-24-23(27)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,27)
InChIKeyBIOHFKIULKPHJQ-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.02
Rot. Bonds6

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

N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17006669) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17006669
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
SMILESCOc1ccc(Cn2c(CNC(=O)c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C23H21N3O2/c1-28-19-13-11-17(12-14-19)16-26-21-10-6-5-9-20(21)25-22(26)15-24-23(27)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,27)
InChIKeyBIOHFKIULKPHJQ-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

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Related Compounds

N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
CID 17008696
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-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006058
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973758
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061
4-methoxy-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976706
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976701
N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008546
N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965557
4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984748
N-[[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008549

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide (CID 17006669) is N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide is COc1ccc(Cn2c(CNC(=O)c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is BIOHFKIULKPHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-28-19-13-11-17(12-14-19)16-26-21-10-6-5-9-20(21)25-22(26)15-24-23(27)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,27).
What are the key properties of N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide 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-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17006669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).