N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-fluorophenyl)imidazole-4-carboxamide

C18H15ClFN3O3 — CID 9360823

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-3-(4-fluorophenyl)imidazole-4-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cncn2-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C18H15ClFN3O3/c1-25-16-8-17(26-2)14(7-13(16)19)22-18(24)15-9-21-10-23(15)12-5-3-11(20)4-6-12/h3-10H,1-2H3,(H,22,24)
InChIKeyZJRIYIGQADAKBV-UHFFFAOYSA-N
MW375.79 g/mol
LogP3.93
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-fluorophenyl)imidazole-4-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-fluorophenyl)imidazole-4-carboxamide (PubChem CID 9360823) has the molecular formula C18H15ClFN3O3 and a molecular weight of 375.79 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-fluorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-3-(4-fluorophenyl)imidazole-4-carboxamide
PubChem CID9360823
Molecular FormulaC18H15ClFN3O3
Molecular Weight375.79 g/mol
Exact Mass375.08
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-3-(4-fluorophenyl)imidazole-4-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cncn2-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C18H15ClFN3O3/c1-25-16-8-17(26-2)14(7-13(16)19)22-18(24)15-9-21-10-23(15)12-5-3-11(20)4-6-12/h3-10H,1-2H3,(H,22,24)
InChIKeyZJRIYIGQADAKBV-UHFFFAOYSA-N
XLogP3.93
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-fluorophenyl)imidazole-4-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 N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-fluorophenyl)imidazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-fluorophenyl)imidazole-4-carboxamide (CID 9360823) is N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-fluorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-fluorophenyl)imidazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-fluorophenyl)imidazole-4-carboxamide is COc1cc(OC)c(NC(=O)c2cncn2-c2ccc(F)cc2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-fluorophenyl)imidazole-4-carboxamide?
The InChIKey is ZJRIYIGQADAKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3/c1-25-16-8-17(26-2)14(7-13(16)19)22-18(24)15-9-21-10-23(15)12-5-3-11(20)4-6-12/h3-10H,1-2H3,(H,22,24).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-fluorophenyl)imidazole-4-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-fluorophenyl)imidazole-4-carboxamide has a molecular weight of 375.79 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-fluorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 9360823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).