2-chloro-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]benzamide

C25H22ClN3O2 — CID 16982819

IUPAC2-chloro-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]benzamide
SMILESO=C(Cn1c(CCCNC(=O)c2ccccc2Cl)nc2ccccc21)c1ccccc1
InChIInChI=1S/C25H22ClN3O2/c26-20-12-5-4-11-19(20)25(31)27-16-8-15-24-28-21-13-6-7-14-22(21)29(24)17-23(30)18-9-2-1-3-10-18/h1-7,9-14H,8,15-17H2,(H,27,31)
InChIKeyRMNHOQOBPQQQHB-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.94
Rot. Bonds8

About 2-chloro-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]benzamide

2-chloro-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]benzamide (PubChem CID 16982819) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is 2-chloro-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]benzamide
PubChem CID16982819
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC Name2-chloro-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]benzamide
SMILESO=C(Cn1c(CCCNC(=O)c2ccccc2Cl)nc2ccccc21)c1ccccc1
InChIInChI=1S/C25H22ClN3O2/c26-20-12-5-4-11-19(20)25(31)27-16-8-15-24-28-21-13-6-7-14-22(21)29(24)17-23(30)18-9-2-1-3-10-18/h1-7,9-14H,8,15-17H2,(H,27,31)
InChIKeyRMNHOQOBPQQQHB-UHFFFAOYSA-N
XLogP4.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[3-(1-phenacylbenzimidazol-2-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

2-chloro-N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]benzamide
CID 16976181
2-chloro-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16982697
2-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989892
2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031501
2-methyl-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16987013
2-chloro-N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989890
2-chloro-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982726
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide
CID 16983008
(Z)-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]-3-phenylprop-2-enamide
CID 16986215
2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976029
2-chloro-N-[3-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031504
N-[3-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986364

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]benzamide (CID 16982819) is 2-chloro-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]benzamide is O=C(Cn1c(CCCNC(=O)c2ccccc2Cl)nc2ccccc21)c1ccccc1.
What is the InChIKey of 2-chloro-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]benzamide?
The InChIKey is RMNHOQOBPQQQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c26-20-12-5-4-11-19(20)25(31)27-16-8-15-24-28-21-13-6-7-14-22(21)29(24)17-23(30)18-9-2-1-3-10-18/h1-7,9-14H,8,15-17H2,(H,27,31).
What are the key properties of 2-chloro-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]benzamide?
2-chloro-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]benzamide has a molecular weight of 431.92 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]benzamide is sourced from PubChem (CID 16982819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).