N-[4-[2-(difluoromethyl)-5-methoxybenzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide

C22H18F2N4O2 — CID 71010146

IUPACN-[4-[2-(difluoromethyl)-5-methoxybenzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide
SMILESCOc1ccc2c(c1)nc(C(F)F)n2-c1ccc(NC(=O)c2cnccc2C)cc1
InChIInChI=1S/C22H18F2N4O2/c1-13-9-10-25-12-17(13)22(29)26-14-3-5-15(6-4-14)28-19-8-7-16(30-2)11-18(19)27-21(28)20(23)24/h3-12,20H,1-2H3,(H,26,29)
InChIKeyLQUFWXZIUFTMTL-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.93
Rot. Bonds5

About N-[4-[2-(difluoromethyl)-5-methoxybenzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide

N-[4-[2-(difluoromethyl)-5-methoxybenzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide (PubChem CID 71010146) has the molecular formula C22H18F2N4O2 and a molecular weight of 408.41 g/mol. Its IUPAC name is N-[4-[2-(difluoromethyl)-5-methoxybenzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(difluoromethyl)-5-methoxybenzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide
PubChem CID71010146
Molecular FormulaC22H18F2N4O2
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC NameN-[4-[2-(difluoromethyl)-5-methoxybenzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide
SMILESCOc1ccc2c(c1)nc(C(F)F)n2-c1ccc(NC(=O)c2cnccc2C)cc1
InChIInChI=1S/C22H18F2N4O2/c1-13-9-10-25-12-17(13)22(29)26-14-3-5-15(6-4-14)28-19-8-7-16(30-2)11-18(19)27-21(28)20(23)24/h3-12,20H,1-2H3,(H,26,29)
InChIKeyLQUFWXZIUFTMTL-UHFFFAOYSA-N
XLogP4.93
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(difluoromethyl)-5-methoxybenzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-[2-(difluoromethyl)-5-methoxybenzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide (CID 71010146) is N-[4-[2-(difluoromethyl)-5-methoxybenzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(difluoromethyl)-5-methoxybenzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-(difluoromethyl)-5-methoxybenzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide is COc1ccc2c(c1)nc(C(F)F)n2-c1ccc(NC(=O)c2cnccc2C)cc1.
What is the InChIKey of N-[4-[2-(difluoromethyl)-5-methoxybenzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide?
The InChIKey is LQUFWXZIUFTMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O2/c1-13-9-10-25-12-17(13)22(29)26-14-3-5-15(6-4-14)28-19-8-7-16(30-2)11-18(19)27-21(28)20(23)24/h3-12,20H,1-2H3,(H,26,29).
What are the key properties of N-[4-[2-(difluoromethyl)-5-methoxybenzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide?
N-[4-[2-(difluoromethyl)-5-methoxybenzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide has a molecular weight of 408.41 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(difluoromethyl)-5-methoxybenzimidazol-1-yl]phenyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).