4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide

C21H13ClF4N4O2 — CID 24850586

IUPAC4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccc(Cl)cc2F)nc1
InChIInChI=1S/C21H13ClF4N4O2/c1-32-13-4-6-17-16(9-13)28-20(21(24,25)26)30(17)12-3-7-18(27-10-12)29-19(31)14-5-2-11(22)8-15(14)23/h2-10H,1H3,(H,27,29,31)
InChIKeySDIDBPQDAKTSHF-UHFFFAOYSA-N
MW464.81 g/mol
LogP5.49
Rot. Bonds4

About 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide

4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide (PubChem CID 24850586) has the molecular formula C21H13ClF4N4O2 and a molecular weight of 464.81 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
PubChem CID24850586
Molecular FormulaC21H13ClF4N4O2
Molecular Weight464.81 g/mol
Exact Mass464.07
IUPAC Name4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccc(Cl)cc2F)nc1
InChIInChI=1S/C21H13ClF4N4O2/c1-32-13-4-6-17-16(9-13)28-20(21(24,25)26)30(17)12-3-7-18(27-10-12)29-19(31)14-5-2-11(22)8-15(14)23/h2-10H,1H3,(H,27,29,31)
InChIKeySDIDBPQDAKTSHF-UHFFFAOYSA-N
XLogP5.49
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.81
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide 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 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide (CID 24850586) is 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccc(Cl)cc2F)nc1.
What is the InChIKey of 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
The InChIKey is SDIDBPQDAKTSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF4N4O2/c1-32-13-4-6-17-16(9-13)28-20(21(24,25)26)30(17)12-3-7-18(27-10-12)29-19(31)14-5-2-11(22)8-15(14)23/h2-10H,1H3,(H,27,29,31).
What are the key properties of 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide has a molecular weight of 464.81 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 24850586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).