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

C24H21Cl2N3O — CID 16982697

IUPAC2-chloro-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
SMILESO=C(NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C24H21Cl2N3O/c25-18-13-11-17(12-14-18)16-29-22-9-4-3-8-21(22)28-23(29)10-5-15-27-24(30)19-6-1-2-7-20(19)26/h1-4,6-9,11-14H,5,10,15-16H2,(H,27,30)
InChIKeyVLRSIPNXHMLEEO-UHFFFAOYSA-N
MW438.36 g/mol
LogP5.75
Rot. Bonds7

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

2-chloro-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16982697) has the molecular formula C24H21Cl2N3O and a molecular weight of 438.36 g/mol. Its IUPAC name is 2-chloro-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
PubChem CID16982697
Molecular FormulaC24H21Cl2N3O
Molecular Weight438.36 g/mol
Exact Mass437.11
IUPAC Name2-chloro-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
SMILESO=C(NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C24H21Cl2N3O/c25-18-13-11-17(12-14-18)16-29-22-9-4-3-8-21(22)28-23(29)10-5-15-27-24(30)19-6-1-2-7-20(19)26/h1-4,6-9,11-14H,5,10,15-16H2,(H,27,30)
InChIKeyVLRSIPNXHMLEEO-UHFFFAOYSA-N
XLogP5.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.36
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide
CID 16983008
4-chloro-N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 4630378
2-chloro-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]benzamide
CID 16982819
2-chloro-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976056
3-bromo-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983329
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982377
2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976055
4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984581
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
CID 16982855
4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754980
N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 16983804
2-chloro-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982726

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide (CID 16982697) is 2-chloro-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide is O=C(NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The InChIKey is VLRSIPNXHMLEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O/c25-18-13-11-17(12-14-18)16-29-22-9-4-3-8-21(22)28-23(29)10-5-15-27-24(30)19-6-1-2-7-20(19)26/h1-4,6-9,11-14H,5,10,15-16H2,(H,27,30).
What are the key properties of 2-chloro-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
2-chloro-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 438.36 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16982697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).