N-(3-chloro-2-methylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)propanamide

C18H18ClN3O — CID 7450193

IUPACN-(3-chloro-2-methylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)propanamide
SMILESCc1ccc2nc(CCC(=O)Nc3cccc(Cl)c3C)[nH]c2c1
InChIInChI=1S/C18H18ClN3O/c1-11-6-7-15-16(10-11)21-17(20-15)8-9-18(23)22-14-5-3-4-13(19)12(14)2/h3-7,10H,8-9H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyRCFGGMZWTJDOHF-UHFFFAOYSA-N
MW327.82 g/mol
LogP4.40
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)propanamide

N-(3-chloro-2-methylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)propanamide (PubChem CID 7450193) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)propanamide
PubChem CID7450193
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)propanamide
SMILESCc1ccc2nc(CCC(=O)Nc3cccc(Cl)c3C)[nH]c2c1
InChIInChI=1S/C18H18ClN3O/c1-11-6-7-15-16(10-11)21-17(20-15)8-9-18(23)22-14-5-3-4-13(19)12(14)2/h3-7,10H,8-9H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyRCFGGMZWTJDOHF-UHFFFAOYSA-N
XLogP4.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N-(3-chloro-2-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562324
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
3-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(methylsulfanylmethyl)phenyl]propanamide
CID 56791675
N-(2,5-dimethylphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide
CID 53131255
2-chloro-N-[3-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328366
N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide
CID 110468468
N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide
CID 1407392
N-(2,3-dimethylphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 46393076
6-amino-N-(3-chloro-2-methylphenyl)hexanamide
CID 24711595
N-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide
CID 108953469

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)propanamide (CID 7450193) is N-(3-chloro-2-methylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)propanamide is Cc1ccc2nc(CCC(=O)Nc3cccc(Cl)c3C)[nH]c2c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)propanamide?
The InChIKey is RCFGGMZWTJDOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-11-6-7-15-16(10-11)21-17(20-15)8-9-18(23)22-14-5-3-4-13(19)12(14)2/h3-7,10H,8-9H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)propanamide?
N-(3-chloro-2-methylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)propanamide has a molecular weight of 327.82 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)propanamide is sourced from PubChem (CID 7450193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).