2-chloro-N-[[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide

C24H21Cl2N3O2 — CID 17007500

IUPAC2-chloro-N-[[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C24H21Cl2N3O2/c25-17-10-12-18(13-11-17)31-15-5-14-29-22-9-4-3-8-21(22)28-23(29)16-27-24(30)19-6-1-2-7-20(19)26/h1-4,6-13H,5,14-16H2,(H,27,30)
InChIKeyYUKTUFKPEWFLFV-UHFFFAOYSA-N
MW454.36 g/mol
LogP5.74
Rot. Bonds8

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

2-chloro-N-[[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17007500) has the molecular formula C24H21Cl2N3O2 and a molecular weight of 454.36 g/mol. Its IUPAC name is 2-chloro-N-[[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17007500
Molecular FormulaC24H21Cl2N3O2
Molecular Weight454.36 g/mol
Exact Mass453.10
IUPAC Name2-chloro-N-[[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C24H21Cl2N3O2/c25-17-10-12-18(13-11-17)31-15-5-14-29-22-9-4-3-8-21(22)28-23(29)16-27-24(30)19-6-1-2-7-20(19)26/h1-4,6-13H,5,14-16H2,(H,27,30)
InChIKeyYUKTUFKPEWFLFV-UHFFFAOYSA-N
XLogP5.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.36
LogP ≤ 55.74
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-[[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]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-[[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17009076
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide
CID 17007056
2-fluoro-N-[[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17007822
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964027
2-chloro-N-[3-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982759
N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007826
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide
CID 17008010
2-(4-chlorophenoxy)-N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 16971189
3-chloro-N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17008310
N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006888
2-methoxy-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007722
2-fluoro-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17007775

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide (CID 17007500) is 2-chloro-N-[[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide is O=C(NCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is YUKTUFKPEWFLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O2/c25-17-10-12-18(13-11-17)31-15-5-14-29-22-9-4-3-8-21(22)28-23(29)16-27-24(30)19-6-1-2-7-20(19)26/h1-4,6-13H,5,14-16H2,(H,27,30).
What are the key properties of 2-chloro-N-[[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide?
2-chloro-N-[[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 454.36 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17007500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).