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

C22H17F3N4O2 — CID 71010063

IUPACN-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cnccc2C)cc1
InChIInChI=1S/C22H17F3N4O2/c1-13-9-10-26-12-17(13)20(30)27-14-3-5-15(6-4-14)29-19-8-7-16(31-2)11-18(19)28-21(29)22(23,24)25/h3-12H,1-2H3,(H,27,30)
InChIKeyIILURLMOFLTBTD-UHFFFAOYSA-N
MW426.40 g/mol
LogP5.01
Rot. Bonds4

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

N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide (PubChem CID 71010063) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide
PubChem CID71010063
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC NameN-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cnccc2C)cc1
InChIInChI=1S/C22H17F3N4O2/c1-13-9-10-26-12-17(13)20(30)27-14-3-5-15(6-4-14)29-19-8-7-16(31-2)11-18(19)28-21(29)22(23,24)25/h3-12H,1-2H3,(H,27,30)
InChIKeyIILURLMOFLTBTD-UHFFFAOYSA-N
XLogP5.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.40
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide (CID 71010063) is N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cnccc2C)cc1.
What is the InChIKey of N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide?
The InChIKey is IILURLMOFLTBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-13-9-10-26-12-17(13)20(30)27-14-3-5-15(6-4-14)29-19-8-7-16(31-2)11-18(19)28-21(29)22(23,24)25/h3-12H,1-2H3,(H,27,30).
What are the key properties of N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide?
N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide has a molecular weight of 426.40 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).