3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide

C20H22ClN3O — CID 42810560

IUPAC3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCn1c(Cc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C20H22ClN3O/c1-2-12-22-20(25)11-13-24-18-10-6-5-9-17(18)23-19(24)14-15-7-3-4-8-16(15)21/h3-10H,2,11-14H2,1H3,(H,22,25)
InChIKeyRREXKDGZCIKFGN-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.20
Rot. Bonds7

About 3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide

3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide (PubChem CID 42810560) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide
PubChem CID42810560
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCn1c(Cc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C20H22ClN3O/c1-2-12-22-20(25)11-13-24-18-10-6-5-9-17(18)23-19(24)14-15-7-3-4-8-16(15)21/h3-10H,2,11-14H2,1H3,(H,22,25)
InChIKeyRREXKDGZCIKFGN-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 42810164
2-(2-chlorophenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16979229
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 4754809
(2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide
CID 93301607
2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide
CID 16985199
2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide
CID 16993655
3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide
CID 83280152
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974464
2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole
CID 16995695
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propylacetamide
CID 17031853
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 17032461
2-(2-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide
CID 16993642

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide?
The IUPAC name of 3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide (CID 42810560) is 3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide.
What is the SMILES notation for 3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide?
The canonical SMILES for 3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide is CCCNC(=O)CCn1c(Cc2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide?
The InChIKey is RREXKDGZCIKFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-2-12-22-20(25)11-13-24-18-10-6-5-9-17(18)23-19(24)14-15-7-3-4-8-16(15)21/h3-10H,2,11-14H2,1H3,(H,22,25).
What are the key properties of 3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide?
3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide has a molecular weight of 355.87 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide is sourced from PubChem (CID 42810560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).