4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide

C17H16ClN3O2 — CID 110419732

IUPAC4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
SMILESO=C(NCCCn1c(=O)[nH]c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c18-13-8-6-12(7-9-13)16(22)19-10-3-11-21-15-5-2-1-4-14(15)20-17(21)23/h1-2,4-9H,3,10-11H2,(H,19,22)(H,20,23)
InChIKeyFDMXFCNCSJBJDS-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.80
Rot. Bonds5

About 4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide

4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide (PubChem CID 110419732) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
PubChem CID110419732
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
SMILESO=C(NCCCn1c(=O)[nH]c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c18-13-8-6-12(7-9-13)16(22)19-10-3-11-21-15-5-2-1-4-14(15)20-17(21)23/h1-2,4-9H,3,10-11H2,(H,19,22)(H,20,23)
InChIKeyFDMXFCNCSJBJDS-UHFFFAOYSA-N
XLogP2.80
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)-3-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide
CID 110617647
6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid
CID 21273383
3-methoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
CID 110419698
3,4,5-trimethoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
CID 110419706
4-(dimethylsulfamoyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 110400751
2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide
CID 110419711
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110417561
3-(4-aminobutyl)-1H-benzimidazol-2-one
CID 66831527
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110400739
(E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]prop-2-enamide
CID 110617575
3-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide
CID 110610959

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide (CID 110419732) is 4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide is O=C(NCCCn1c(=O)[nH]c2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide?
The InChIKey is FDMXFCNCSJBJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c18-13-8-6-12(7-9-13)16(22)19-10-3-11-21-15-5-2-1-4-14(15)20-17(21)23/h1-2,4-9H,3,10-11H2,(H,19,22)(H,20,23).
What are the key properties of 4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide?
4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide has a molecular weight of 329.79 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide is sourced from PubChem (CID 110419732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).