2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide

C24H20F3N5O2 — CID 58278778

IUPAC2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(N2CCOCC2)cc2[nH]c(-c3cc(F)ccc3C(F)F)nc12
InChIInChI=1S/C24H20F3N5O2/c25-14-3-4-17(22(26)27)18(10-14)23-30-20-12-16(32-6-8-34-9-7-32)11-19(21(20)31-23)24(33)29-15-2-1-5-28-13-15/h1-5,10-13,22H,6-9H2,(H,29,33)(H,30,31)
InChIKeyAGUJONLSELWAKN-UHFFFAOYSA-N
MW467.45 g/mol
LogP4.79
Rot. Bonds5

About 2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide

2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide (PubChem CID 58278778) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
PubChem CID58278778
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC Name2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(N2CCOCC2)cc2[nH]c(-c3cc(F)ccc3C(F)F)nc12
InChIInChI=1S/C24H20F3N5O2/c25-14-3-4-17(22(26)27)18(10-14)23-30-20-12-16(32-6-8-34-9-7-32)11-19(21(20)31-23)24(33)29-15-2-1-5-28-13-15/h1-5,10-13,22H,6-9H2,(H,29,33)(H,30,31)
InChIKeyAGUJONLSELWAKN-UHFFFAOYSA-N
XLogP4.79
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-fluoro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 58279370
2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide
CID 58279227
2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-pyridin-3-yl-3H-imidazo[4,5-c]pyridine-7-carboxamide
CID 58279287
2-[4-chloro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279038
2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 58279301
2-[2-(difluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-6-fluoro-1H-benzimidazole-4-carboxamide
CID 121367006
2-[4-(3-fluoropyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 76739437
2-[2-(difluoromethyl)-4-fluorophenyl]-N-[3-(3-hydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide
CID 143922361
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-pyridin-3-ylurea
CID 18101833
2-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 58279357
2-bromo-5-fluoro-N-pyridin-3-ylbenzamide
CID 24699857
6-morpholin-4-yl-N-pyridin-3-ylpyrimidine-4-carboxamide
CID 91816399

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide (CID 58278778) is 2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide is O=C(Nc1cccnc1)c1cc(N2CCOCC2)cc2[nH]c(-c3cc(F)ccc3C(F)F)nc12.
What is the InChIKey of 2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is AGUJONLSELWAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c25-14-3-4-17(22(26)27)18(10-14)23-30-20-12-16(32-6-8-34-9-7-32)11-19(21(20)31-23)24(33)29-15-2-1-5-28-13-15/h1-5,10-13,22H,6-9H2,(H,29,33)(H,30,31).
What are the key properties of 2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 467.45 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58278778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).