2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide

C18H17ClFN3O — CID 110292027

IUPAC2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
SMILESCc1nc2ccccc2n1CCCNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C18H17ClFN3O/c1-12-22-15-8-2-3-9-16(15)23(12)11-5-10-21-18(24)17-13(19)6-4-7-14(17)20/h2-4,6-9H,5,10-11H2,1H3,(H,21,24)
InChIKeyJPPMGXSLFNROBO-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.96
Rot. Bonds5

About 2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide

2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide (PubChem CID 110292027) has the molecular formula C18H17ClFN3O and a molecular weight of 345.81 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
PubChem CID110292027
Molecular FormulaC18H17ClFN3O
Molecular Weight345.81 g/mol
Exact Mass345.10
IUPAC Name2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
SMILESCc1nc2ccccc2n1CCCNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C18H17ClFN3O/c1-12-22-15-8-2-3-9-16(15)23(12)11-5-10-21-18(24)17-13(19)6-4-7-14(17)20/h2-4,6-9H,5,10-11H2,1H3,(H,21,24)
InChIKeyJPPMGXSLFNROBO-UHFFFAOYSA-N
XLogP3.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-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

4,5-dichloro-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 78839389
2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 17395811
2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
CID 120703538
3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 51336912
1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide
CID 55451237
N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-nitrobenzamide
CID 51277941
3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-nitrobenzamide
CID 46514864
4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 134036907
3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide
CID 46519962
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-oxochromene-3-carboxamide
CID 46514997
2-chloro-6-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide
CID 110396297
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide (CID 110292027) is 2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide is Cc1nc2ccccc2n1CCCNC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
The InChIKey is JPPMGXSLFNROBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O/c1-12-22-15-8-2-3-9-16(15)23(12)11-5-10-21-18(24)17-13(19)6-4-7-14(17)20/h2-4,6-9H,5,10-11H2,1H3,(H,21,24).
What are the key properties of 2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide has a molecular weight of 345.81 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide is sourced from PubChem (CID 110292027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).