N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide

C22H19N3O2 — CID 43889810

IUPACN-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(c2ccccc2)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C22H19N3O2/c1-27-17-11-7-10-16(14-17)22(26)25-20(15-8-3-2-4-9-15)21-23-18-12-5-6-13-19(18)24-21/h2-14,20H,1H3,(H,23,24)(H,25,26)
InChIKeyQJZCBTLAVNHNDO-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.09
Rot. Bonds5

About N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide

N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide (PubChem CID 43889810) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide
PubChem CID43889810
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(c2ccccc2)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C22H19N3O2/c1-27-17-11-7-10-16(14-17)22(26)25-20(15-8-3-2-4-9-15)21-23-18-12-5-6-13-19(18)24-21/h2-14,20H,1H3,(H,23,24)(H,25,26)
InChIKeyQJZCBTLAVNHNDO-UHFFFAOYSA-N
XLogP4.09
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 18116381
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide
CID 22695827
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 110204562
4-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43889998
N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide
CID 2952126
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide
CID 60592481
3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820699
N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide
CID 43889813
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide
CID 30157732
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 118986188
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-1-(2-methoxyethyl)indole-2-carboxamide
CID 110205630
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047

Frequently Asked Questions

What is the IUPAC name of N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide?
The IUPAC name of N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide (CID 43889810) is N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide?
The canonical SMILES for N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide is COc1cccc(C(=O)NC(c2ccccc2)c2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide?
The InChIKey is QJZCBTLAVNHNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-27-17-11-7-10-16(14-17)22(26)25-20(15-8-3-2-4-9-15)21-23-18-12-5-6-13-19(18)24-21/h2-14,20H,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide?
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide has a molecular weight of 357.41 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 43889810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).