N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-bromo-5-methoxybenzamide

C22H18BrN3O2 — CID 78836790

IUPACN-[3H-benzimidazol-5-yl(phenyl)methyl]-2-bromo-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C22H18BrN3O2/c1-28-16-8-9-18(23)17(12-16)22(27)26-21(14-5-3-2-4-6-14)15-7-10-19-20(11-15)25-13-24-19/h2-13,21H,1H3,(H,24,25)(H,26,27)
InChIKeyZLAZUXQJRQGASI-UHFFFAOYSA-N
MW436.31 g/mol
LogP4.85
Rot. Bonds5

About N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-bromo-5-methoxybenzamide

N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-bromo-5-methoxybenzamide (PubChem CID 78836790) has the molecular formula C22H18BrN3O2 and a molecular weight of 436.31 g/mol. Its IUPAC name is N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-bromo-5-methoxybenzamide.

Molecular Properties

Compound NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-2-bromo-5-methoxybenzamide
PubChem CID78836790
Molecular FormulaC22H18BrN3O2
Molecular Weight436.31 g/mol
Exact Mass435.06
IUPAC NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-2-bromo-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C22H18BrN3O2/c1-28-16-8-9-18(23)17(12-16)22(27)26-21(14-5-3-2-4-6-14)15-7-10-19-20(11-15)25-13-24-19/h2-13,21H,1H3,(H,24,25)(H,26,27)
InChIKeyZLAZUXQJRQGASI-UHFFFAOYSA-N
XLogP4.85
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.31
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 112809173
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 86916761
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide
CID 78886873
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide
CID 78836794
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(3-methoxyphenyl)propanamide
CID 24666701
N-[(S)-3H-benzimidazol-5-yl(phenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 25474476
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide
CID 78839242
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 42883479
2,5-dimethoxy-N-[(S)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 9118748
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 24621577
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide
CID 78876519
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119840627

Frequently Asked Questions

What is the IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-bromo-5-methoxybenzamide?
The IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-bromo-5-methoxybenzamide (CID 78836790) is N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-bromo-5-methoxybenzamide.
What is the SMILES notation for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-bromo-5-methoxybenzamide?
The canonical SMILES for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-bromo-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)c1.
What is the InChIKey of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-bromo-5-methoxybenzamide?
The InChIKey is ZLAZUXQJRQGASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O2/c1-28-16-8-9-18(23)17(12-16)22(27)26-21(14-5-3-2-4-6-14)15-7-10-19-20(11-15)25-13-24-19/h2-13,21H,1H3,(H,24,25)(H,26,27).
What are the key properties of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-bromo-5-methoxybenzamide?
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-bromo-5-methoxybenzamide has a molecular weight of 436.31 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-bromo-5-methoxybenzamide is sourced from PubChem (CID 78836790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).