N-(2-chloro-4-methylphenyl)-2-[2-[(1R)-1-phenoxyethyl]benzimidazol-1-yl]acetamide

C24H22ClN3O2 — CID 40704872

IUPACN-(2-chloro-4-methylphenyl)-2-[2-[(1R)-1-phenoxyethyl]benzimidazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2c([C@@H](C)Oc3ccccc3)nc3ccccc32)c(Cl)c1
InChIInChI=1S/C24H22ClN3O2/c1-16-12-13-20(19(25)14-16)26-23(29)15-28-22-11-7-6-10-21(22)27-24(28)17(2)30-18-8-4-3-5-9-18/h3-14,17H,15H2,1-2H3,(H,26,29)/t17-/m1/s1
InChIKeyMKFIHBGVSYVGFM-QGZVFWFLSA-N
MW419.91 g/mol
LogP5.78
Rot. Bonds6

About N-(2-chloro-4-methylphenyl)-2-[2-[(1R)-1-phenoxyethyl]benzimidazol-1-yl]acetamide

N-(2-chloro-4-methylphenyl)-2-[2-[(1R)-1-phenoxyethyl]benzimidazol-1-yl]acetamide (PubChem CID 40704872) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[2-[(1R)-1-phenoxyethyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[2-[(1R)-1-phenoxyethyl]benzimidazol-1-yl]acetamide
PubChem CID40704872
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[2-[(1R)-1-phenoxyethyl]benzimidazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2c([C@@H](C)Oc3ccccc3)nc3ccccc32)c(Cl)c1
InChIInChI=1S/C24H22ClN3O2/c1-16-12-13-20(19(25)14-16)26-23(29)15-28-22-11-7-6-10-21(22)27-24(28)17(2)30-18-8-4-3-5-9-18/h3-14,17H,15H2,1-2H3,(H,26,29)/t17-/m1/s1
InChIKeyMKFIHBGVSYVGFM-QGZVFWFLSA-N
XLogP5.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 18097747
propan-2-yl 2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetate
CID 16998895
N-[1-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029665
3-[4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129394
1-(1-ethylbenzimidazol-2-yl)ethyl N-(2,4-dimethylphenyl)carbamate
CID 22889576
2-chloro-N-[1-[1-[2-(2-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029834
N-methyl-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 16998881
N-(2-chloro-4-methylphenyl)-3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propanamide
CID 90069141
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2-chloro-4-methylphenyl)propanamide
CID 70695921
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-methylprop-2-enyl)benzimidazole
CID 16999069
N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795
N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46346696

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[2-[(1R)-1-phenoxyethyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[2-[(1R)-1-phenoxyethyl]benzimidazol-1-yl]acetamide (CID 40704872) is N-(2-chloro-4-methylphenyl)-2-[2-[(1R)-1-phenoxyethyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[2-[(1R)-1-phenoxyethyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[2-[(1R)-1-phenoxyethyl]benzimidazol-1-yl]acetamide is Cc1ccc(NC(=O)Cn2c([C@@H](C)Oc3ccccc3)nc3ccccc32)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[2-[(1R)-1-phenoxyethyl]benzimidazol-1-yl]acetamide?
The InChIKey is MKFIHBGVSYVGFM-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-16-12-13-20(19(25)14-16)26-23(29)15-28-22-11-7-6-10-21(22)27-24(28)17(2)30-18-8-4-3-5-9-18/h3-14,17H,15H2,1-2H3,(H,26,29)/t17-/m1/s1.
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[2-[(1R)-1-phenoxyethyl]benzimidazol-1-yl]acetamide?
N-(2-chloro-4-methylphenyl)-2-[2-[(1R)-1-phenoxyethyl]benzimidazol-1-yl]acetamide has a molecular weight of 419.91 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[2-[(1R)-1-phenoxyethyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 40704872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).