2-chloro-6-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide

C21H13ClF4N4O2 — CID 24850498

IUPAC2-chloro-6-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2c(F)cccc2Cl)nc1
InChIInChI=1S/C21H13ClF4N4O2/c1-32-12-6-7-16-15(9-12)28-20(21(24,25)26)30(16)11-5-8-17(27-10-11)29-19(31)18-13(22)3-2-4-14(18)23/h2-10H,1H3,(H,27,29,31)
InChIKeyDSMYXWODMKIPJE-UHFFFAOYSA-N
MW464.81 g/mol
LogP5.49
Rot. Bonds4

About 2-chloro-6-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide

2-chloro-6-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide (PubChem CID 24850498) has the molecular formula C21H13ClF4N4O2 and a molecular weight of 464.81 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
PubChem CID24850498
Molecular FormulaC21H13ClF4N4O2
Molecular Weight464.81 g/mol
Exact Mass464.07
IUPAC Name2-chloro-6-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2c(F)cccc2Cl)nc1
InChIInChI=1S/C21H13ClF4N4O2/c1-32-12-6-7-16-15(9-12)28-20(21(24,25)26)30(16)11-5-8-17(27-10-11)29-19(31)18-13(22)3-2-4-14(18)23/h2-10H,1H3,(H,27,29,31)
InChIKeyDSMYXWODMKIPJE-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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide (CID 24850498) is 2-chloro-6-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-6-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)c2c(F)cccc2Cl)nc1.
What is the InChIKey of 2-chloro-6-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
The InChIKey is DSMYXWODMKIPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF4N4O2/c1-32-12-6-7-16-15(9-12)28-20(21(24,25)26)30(16)11-5-8-17(27-10-11)29-19(31)18-13(22)3-2-4-14(18)23/h2-10H,1H3,(H,27,29,31).
What are the key properties of 2-chloro-6-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
2-chloro-6-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 2-chloro-6-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 24850498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).