3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide

C20H22ClN3O — CID 51336912

IUPAC3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
SMILESCc1nc2ccccc2n1CCCNC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O/c1-15-23-18-5-2-3-6-19(18)24(15)14-4-13-22-20(25)12-9-16-7-10-17(21)11-8-16/h2-3,5-8,10-11H,4,9,12-14H2,1H3,(H,22,25)
InChIKeyXIFPBZHNUVMDAQ-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.14
Rot. Bonds7

About 3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide

3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide (PubChem CID 51336912) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
PubChem CID51336912
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
SMILESCc1nc2ccccc2n1CCCNC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O/c1-15-23-18-5-2-3-6-19(18)24(15)14-4-13-22-20(25)12-9-16-7-10-17(21)11-8-16/h2-3,5-8,10-11H,4,9,12-14H2,1H3,(H,22,25)
InChIKeyXIFPBZHNUVMDAQ-UHFFFAOYSA-N
XLogP4.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340316
1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole
CID 134123820
3-(4-chlorophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 40716505
2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
CID 120703538
2-(4-chlorophenoxy)-2-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 51862887
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 110309383
3-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]-N-propylpropanamide
CID 111352604
2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 110292027
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47082344
3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide
CID 46519962
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55451065

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide (CID 51336912) is 3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide is Cc1nc2ccccc2n1CCCNC(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide?
The InChIKey is XIFPBZHNUVMDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-15-23-18-5-2-3-6-19(18)24(15)14-4-13-22-20(25)12-9-16-7-10-17(21)11-8-16/h2-3,5-8,10-11H,4,9,12-14H2,1H3,(H,22,25).
What are the key properties of 3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide?
3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide has a molecular weight of 355.87 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide is sourced from PubChem (CID 51336912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).