1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide

C22H17ClFN3O2 — CID 4288437

IUPAC1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1-n1cnc2cc(C(=O)NCc3ccc(F)cc3)ccc21
InChIInChI=1S/C22H17ClFN3O2/c1-29-21-9-5-16(23)11-20(21)27-13-26-18-10-15(4-8-19(18)27)22(28)25-12-14-2-6-17(24)7-3-14/h2-11,13H,12H2,1H3,(H,25,28)
InChIKeyNAPSJZKLDMYWIK-UHFFFAOYSA-N
MW409.85 g/mol
LogP4.76
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide

1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide (PubChem CID 4288437) has the molecular formula C22H17ClFN3O2 and a molecular weight of 409.85 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide
PubChem CID4288437
Molecular FormulaC22H17ClFN3O2
Molecular Weight409.85 g/mol
Exact Mass409.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1-n1cnc2cc(C(=O)NCc3ccc(F)cc3)ccc21
InChIInChI=1S/C22H17ClFN3O2/c1-29-21-9-5-16(23)11-20(21)27-13-26-18-10-15(4-8-19(18)27)22(28)25-12-14-2-6-17(24)7-3-14/h2-11,13H,12H2,1H3,(H,25,28)
InChIKeyNAPSJZKLDMYWIK-UHFFFAOYSA-N
XLogP4.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.85
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide (CID 4288437) is 1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide is COc1ccc(Cl)cc1-n1cnc2cc(C(=O)NCc3ccc(F)cc3)ccc21.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide?
The InChIKey is NAPSJZKLDMYWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O2/c1-29-21-9-5-16(23)11-20(21)27-13-26-18-10-15(4-8-19(18)27)22(28)25-12-14-2-6-17(24)7-3-14/h2-11,13H,12H2,1H3,(H,25,28).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide?
1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide has a molecular weight of 409.85 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 4288437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).