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

C21H24ClN3O — CID 4754809

IUPACN-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide
SMILESCCCC(=O)NCCCc1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C21H24ClN3O/c1-2-8-21(26)23-14-7-13-20-24-18-11-5-6-12-19(18)25(20)15-16-9-3-4-10-17(16)22/h3-6,9-12H,2,7-8,13-15H2,1H3,(H,23,26)
InChIKeyUNOPFBAQNVLCDH-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.59
Rot. Bonds8

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

N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide (PubChem CID 4754809) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide.

Molecular Properties

Compound NameN-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide
PubChem CID4754809
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC NameN-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide
SMILESCCCC(=O)NCCCc1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C21H24ClN3O/c1-2-8-21(26)23-14-7-13-20-24-18-11-5-6-12-19(18)25(20)15-16-9-3-4-10-17(16)22/h3-6,9-12H,2,7-8,13-15H2,1H3,(H,23,26)
InChIKeyUNOPFBAQNVLCDH-UHFFFAOYSA-N
XLogP4.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.59
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

N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985536
2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide
CID 16985199
N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974420
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984277
4-chloro-N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 4630378
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16985698
N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]propanamide
CID 16980695
2-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide
CID 16993655
N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988157
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methylpropanamide
CID 16980824
2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993644
N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 16981231

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide?
The IUPAC name of N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide (CID 4754809) is N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide.
What is the SMILES notation for N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide?
The canonical SMILES for N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide is CCCC(=O)NCCCc1nc2ccccc2n1Cc1ccccc1Cl.
What is the InChIKey of N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide?
The InChIKey is UNOPFBAQNVLCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-2-8-21(26)23-14-7-13-20-24-18-11-5-6-12-19(18)25(20)15-16-9-3-4-10-17(16)22/h3-6,9-12H,2,7-8,13-15H2,1H3,(H,23,26).
What are the key properties of N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide?
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide has a molecular weight of 369.90 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide is sourced from PubChem (CID 4754809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).