3-fluoro-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]pyridine-4-carboxamide

C21H14F4N4O2 — CID 11618841

IUPAC3-fluoro-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]pyridine-4-carboxamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C21H14F4N4O2/c1-31-14-6-7-18-17(10-14)28-20(21(23,24)25)29(18)13-4-2-12(3-5-13)27-19(30)15-8-9-26-11-16(15)22/h2-11H,1H3,(H,27,30)
InChIKeyRSRWRWVKRKWMCQ-UHFFFAOYSA-N
MW430.36 g/mol
LogP4.84
Rot. Bonds4

About 3-fluoro-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]pyridine-4-carboxamide

3-fluoro-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]pyridine-4-carboxamide (PubChem CID 11618841) has the molecular formula C21H14F4N4O2 and a molecular weight of 430.36 g/mol. Its IUPAC name is 3-fluoro-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]pyridine-4-carboxamide
PubChem CID11618841
Molecular FormulaC21H14F4N4O2
Molecular Weight430.36 g/mol
Exact Mass430.11
IUPAC Name3-fluoro-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]pyridine-4-carboxamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C21H14F4N4O2/c1-31-14-6-7-18-17(10-14)28-20(21(23,24)25)29(18)13-4-2-12(3-5-13)27-19(30)15-8-9-26-11-16(15)22/h2-11H,1H3,(H,27,30)
InChIKeyRSRWRWVKRKWMCQ-UHFFFAOYSA-N
XLogP4.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]pyridine-4-carboxamide (CID 11618841) is 3-fluoro-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]pyridine-4-carboxamide is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccncc2F)cc1.
What is the InChIKey of 3-fluoro-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is RSRWRWVKRKWMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4O2/c1-31-14-6-7-18-17(10-14)28-20(21(23,24)25)29(18)13-4-2-12(3-5-13)27-19(30)15-8-9-26-11-16(15)22/h2-11H,1H3,(H,27,30).
What are the key properties of 3-fluoro-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]pyridine-4-carboxamide?
3-fluoro-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 430.36 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 11618841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).