N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]pyridine-4-carboxamide

C20H14F2N4O — CID 17438775

IUPACN-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)c1ccncc1
InChIInChI=1S/C20H14F2N4O/c21-20(22)26-17-4-2-1-3-16(17)25-18(26)13-5-7-15(8-6-13)24-19(27)14-9-11-23-12-10-14/h1-12,20H,(H,24,27)
InChIKeyVMMSUIIEXIXVMC-UHFFFAOYSA-N
MW364.36 g/mol
LogP4.75
Rot. Bonds4

About N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]pyridine-4-carboxamide

N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]pyridine-4-carboxamide (PubChem CID 17438775) has the molecular formula C20H14F2N4O and a molecular weight of 364.36 g/mol. Its IUPAC name is N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]pyridine-4-carboxamide
PubChem CID17438775
Molecular FormulaC20H14F2N4O
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC NameN-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)c1ccncc1
InChIInChI=1S/C20H14F2N4O/c21-20(22)26-17-4-2-1-3-16(17)25-18(26)13-5-7-15(8-6-13)24-19(27)14-9-11-23-12-10-14/h1-12,20H,(H,24,27)
InChIKeyVMMSUIIEXIXVMC-UHFFFAOYSA-N
XLogP4.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-4-fluorobenzamide
CID 16602781
N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-(2-oxoethoxy)benzamide
CID 166155644
1-(difluoromethyl)-2-phenylbenzimidazole
CID 91167618
N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 16581032
(E)-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-quinolin-8-ylprop-2-enamide
CID 18286599
N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 24599606
N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide
CID 46290663
2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82144822
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]urea
CID 167815203
N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 25334762
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]pyridine-4-carboxamide
CID 5022157

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]pyridine-4-carboxamide (CID 17438775) is N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)c1ccncc1.
What is the InChIKey of N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is VMMSUIIEXIXVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O/c21-20(22)26-17-4-2-1-3-16(17)25-18(26)13-5-7-15(8-6-13)24-19(27)14-9-11-23-12-10-14/h1-12,20H,(H,24,27).
What are the key properties of N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]pyridine-4-carboxamide?
N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 17438775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).