N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-hydroxy-4-methoxybenzamide

C22H19N3O3 — CID 112809173

IUPACN-[3H-benzimidazol-5-yl(phenyl)methyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)c(O)c1
InChIInChI=1S/C22H19N3O3/c1-28-16-8-9-17(20(26)12-16)22(27)25-21(14-5-3-2-4-6-14)15-7-10-18-19(11-15)24-13-23-18/h2-13,21,26H,1H3,(H,23,24)(H,25,27)
InChIKeyPITLSISFFFWDSH-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.80
Rot. Bonds5

About N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-hydroxy-4-methoxybenzamide

N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-hydroxy-4-methoxybenzamide (PubChem CID 112809173) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-2-hydroxy-4-methoxybenzamide
PubChem CID112809173
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)c(O)c1
InChIInChI=1S/C22H19N3O3/c1-28-16-8-9-17(20(26)12-16)22(27)25-21(14-5-3-2-4-6-14)15-7-10-18-19(11-15)24-13-23-18/h2-13,21,26H,1H3,(H,23,24)(H,25,27)
InChIKeyPITLSISFFFWDSH-UHFFFAOYSA-N
XLogP3.80
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-bromo-5-methoxybenzamide
CID 78836790
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 86916761
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-bromothiophene-2-carboxamide
CID 78886873
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]-2-(2-methylphenoxy)acetamide
CID 42883479
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide
CID 78839242
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119840627
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide
CID 78839231
N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 24627824

Frequently Asked Questions

What is the IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-hydroxy-4-methoxybenzamide (CID 112809173) is N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)c(O)c1.
What is the InChIKey of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-hydroxy-4-methoxybenzamide?
The InChIKey is PITLSISFFFWDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-28-16-8-9-17(20(26)12-16)22(27)25-21(14-5-3-2-4-6-14)15-7-10-18-19(11-15)24-13-23-18/h2-13,21,26H,1H3,(H,23,24)(H,25,27).
What are the key properties of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-hydroxy-4-methoxybenzamide?
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-hydroxy-4-methoxybenzamide has a molecular weight of 373.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 112809173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).