N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide

C27H19F3N4O — CID 44530912

IUPACN-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)c5cnccc5C(F)(F)F)cc4)c3)nc12
InChIInChI=1S/C27H19F3N4O/c1-16-4-2-7-23-24(16)34-25(33-23)19-6-3-5-18(14-19)17-8-10-20(11-9-17)32-26(35)21-15-31-13-12-22(21)27(28,29)30/h2-15H,1H3,(H,32,35)(H,33,34)
InChIKeyWNMRVHMAUAGHJZ-UHFFFAOYSA-N
MW472.47 g/mol
LogP6.87
Rot. Bonds4

About N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide

N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 44530912) has the molecular formula C27H19F3N4O and a molecular weight of 472.47 g/mol. Its IUPAC name is N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID44530912
Molecular FormulaC27H19F3N4O
Molecular Weight472.47 g/mol
Exact Mass472.15
IUPAC NameN-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)c5cnccc5C(F)(F)F)cc4)c3)nc12
InChIInChI=1S/C27H19F3N4O/c1-16-4-2-7-23-24(16)34-25(33-23)19-6-3-5-18(14-19)17-8-10-20(11-9-17)32-26(35)21-15-31-13-12-22(21)27(28,29)30/h2-15H,1H3,(H,32,35)(H,33,34)
InChIKeyWNMRVHMAUAGHJZ-UHFFFAOYSA-N
XLogP6.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.47
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 44530912) is N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide is Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)c5cnccc5C(F)(F)F)cc4)c3)nc12.
What is the InChIKey of N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is WNMRVHMAUAGHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N4O/c1-16-4-2-7-23-24(16)34-25(33-23)19-6-3-5-18(14-19)17-8-10-20(11-9-17)32-26(35)21-15-31-13-12-22(21)27(28,29)30/h2-15H,1H3,(H,32,35)(H,33,34).
What are the key properties of N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 472.47 g/mol, XLogP of 6.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 44530912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).