N-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]-2-methylpropanamide

C20H22ClN3O — CID 59172184

IUPACN-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]-2-methylpropanamide
SMILESCc1cc2c(ncn2Cc2ccc(Cl)cc2)c(NC(=O)C(C)C)c1C
InChIInChI=1S/C20H22ClN3O/c1-12(2)20(25)23-18-14(4)13(3)9-17-19(18)22-11-24(17)10-15-5-7-16(21)8-6-15/h5-9,11-12H,10H2,1-4H3,(H,23,25)
InChIKeyYLROACWBTURDLR-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.95
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]-2-methylpropanamide

N-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]-2-methylpropanamide (PubChem CID 59172184) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]-2-methylpropanamide
PubChem CID59172184
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]-2-methylpropanamide
SMILESCc1cc2c(ncn2Cc2ccc(Cl)cc2)c(NC(=O)C(C)C)c1C
InChIInChI=1S/C20H22ClN3O/c1-12(2)20(25)23-18-14(4)13(3)9-17-19(18)22-11-24(17)10-15-5-7-16(21)8-6-15/h5-9,11-12H,10H2,1-4H3,(H,23,25)
InChIKeyYLROACWBTURDLR-UHFFFAOYSA-N
XLogP4.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-amine
CID 166683942
3,5-dichloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide
CID 1479149
3,5-dichloro-N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]benzenesulfonamide
CID 1479116
1-[(4-chlorophenyl)methyl]-5-methylbenzimidazole
CID 59172203
1-[(4-chlorophenyl)methyl]-N-(1-phenylethyl)benzimidazole-5-carboxamide
CID 74930386
4-tert-butyl-N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]benzenesulfonamide
CID 1479134
N-[[1-[(4-chlorophenyl)methyl]benzimidazol-5-yl]methyl]-1-methoxypropan-2-amine
CID 78155048
1-[(4-chlorophenyl)methyl]-N-[1-(2-fluorophenyl)ethyl]benzimidazole-5-carboxamide
CID 74930486
2,4-dichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
CID 1474204
3-[(4-chlorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 59172196
N-[2-[(4-chlorophenyl)carbamoylamino]-6-methylphenyl]-2-methylpropanamide
CID 6472575
N-butyl-1-[(4-chlorophenyl)methyl]benzimidazole-5-carboxamide
CID 71711224

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]-2-methylpropanamide (CID 59172184) is N-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]-2-methylpropanamide is Cc1cc2c(ncn2Cc2ccc(Cl)cc2)c(NC(=O)C(C)C)c1C.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]-2-methylpropanamide?
The InChIKey is YLROACWBTURDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-12(2)20(25)23-18-14(4)13(3)9-17-19(18)22-11-24(17)10-15-5-7-16(21)8-6-15/h5-9,11-12H,10H2,1-4H3,(H,23,25).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]-2-methylpropanamide?
N-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]-2-methylpropanamide has a molecular weight of 355.87 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 59172184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).