2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide

C30H42ClN3O — CID 16985199

IUPAC2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide
SMILESCCCCCCCCCCCCn1c(CCCNC(=O)Cc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C30H42ClN3O/c1-2-3-4-5-6-7-8-9-10-15-23-34-28-20-14-13-19-27(28)33-29(34)21-16-22-32-30(35)24-25-17-11-12-18-26(25)31/h11-14,17-20H,2-10,15-16,21-24H2,1H3,(H,32,35)
InChIKeyXWYDNKVKEHXIEN-UHFFFAOYSA-N
MW496.14 g/mol
LogP7.90
Rot. Bonds17

About 2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide

2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide (PubChem CID 16985199) has the molecular formula C30H42ClN3O and a molecular weight of 496.14 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide
PubChem CID16985199
Molecular FormulaC30H42ClN3O
Molecular Weight496.14 g/mol
Exact Mass495.30
IUPAC Name2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide
SMILESCCCCCCCCCCCCn1c(CCCNC(=O)Cc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C30H42ClN3O/c1-2-3-4-5-6-7-8-9-10-15-23-34-28-20-14-13-19-27(28)33-29(34)21-16-22-32-30(35)24-25-17-11-12-18-26(25)31/h11-14,17-20H,2-10,15-16,21-24H2,1H3,(H,32,35)
InChIKeyXWYDNKVKEHXIEN-UHFFFAOYSA-N
XLogP7.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.14
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide 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-(2-chlorophenyl)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide
CID 16993655
2-(2-chlorophenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16979229
2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
CID 16993490
2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide
CID 16980820
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811164
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811165
2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
CID 16993334
N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(2-chlorophenyl)acetamide
CID 16985317
2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993644
N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985848
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985842
N-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 16979081

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide (CID 16985199) is 2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide is CCCCCCCCCCCCn1c(CCCNC(=O)Cc2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide?
The InChIKey is XWYDNKVKEHXIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42ClN3O/c1-2-3-4-5-6-7-8-9-10-15-23-34-28-20-14-13-19-27(28)33-29(34)21-16-22-32-30(35)24-25-17-11-12-18-26(25)31/h11-14,17-20H,2-10,15-16,21-24H2,1H3,(H,32,35).
What are the key properties of 2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide?
2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide has a molecular weight of 496.14 g/mol, XLogP of 7.90, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide is sourced from PubChem (CID 16985199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).