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

C35H52ClN3O — CID 16984573

IUPAC4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
SMILESCCCCCCCCCCCCCCCCCCn1c(CCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C35H52ClN3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-39-33-22-18-17-21-32(33)38-34(39)23-20-28-37-35(40)30-24-26-31(36)27-25-30/h17-18,21-22,24-27H,2-16,19-20,23,28-29H2,1H3,(H,37,40)
InChIKeyJDDBUNKUURICGB-UHFFFAOYSA-N
MW566.27 g/mol
LogP10.31
Rot. Bonds22

About 4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide

4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide (PubChem CID 16984573) has the molecular formula C35H52ClN3O and a molecular weight of 566.27 g/mol. Its IUPAC name is 4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
PubChem CID16984573
Molecular FormulaC35H52ClN3O
Molecular Weight566.27 g/mol
Exact Mass565.38
IUPAC Name4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
SMILESCCCCCCCCCCCCCCCCCCn1c(CCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C35H52ClN3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-39-33-22-18-17-21-32(33)38-34(39)23-20-28-37-35(40)30-24-26-31(36)27-25-30/h17-18,21-22,24-27H,2-16,19-20,23,28-29H2,1H3,(H,37,40)
InChIKeyJDDBUNKUURICGB-UHFFFAOYSA-N
XLogP10.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.27
LogP ≤ 510.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[3-(1-octadecylbenzimidazol-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

N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261
3-chloro-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16983472
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16975728
4-chloro-N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984642
N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide
CID 16984092
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
CID 16976522
4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984560
4-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991383
4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide
CID 16976514
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide
CID 16983150

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide (CID 16984573) is 4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide is CCCCCCCCCCCCCCCCCCn1c(CCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide?
The InChIKey is JDDBUNKUURICGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52ClN3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-39-33-22-18-17-21-32(33)38-34(39)23-20-28-37-35(40)30-24-26-31(36)27-25-30/h17-18,21-22,24-27H,2-16,19-20,23,28-29H2,1H3,(H,37,40).
What are the key properties of 4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide?
4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide has a molecular weight of 566.27 g/mol, XLogP of 10.31, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide is sourced from PubChem (CID 16984573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).