2-[5-fluoro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide

C24H19F4N5O2 — CID 58279370

IUPAC2-[5-fluoro-2-(trifluoromethyl)phenyl]-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)F)nc12
InChIInChI=1S/C24H19F4N5O2/c25-14-3-4-19(24(26,27)28)17(10-14)22-31-20-12-16(33-6-8-35-9-7-33)11-18(21(20)32-22)23(34)30-15-2-1-5-29-13-15/h1-5,10-13H,6-9H2,(H,30,34)(H,31,32)
InChIKeyRRABBFBFEWEBKF-UHFFFAOYSA-N
MW485.44 g/mol
LogP4.87
Rot. Bonds4

About 2-[5-fluoro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide

2-[5-fluoro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide (PubChem CID 58279370) has the molecular formula C24H19F4N5O2 and a molecular weight of 485.44 g/mol. Its IUPAC name is 2-[5-fluoro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[5-fluoro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
PubChem CID58279370
Molecular FormulaC24H19F4N5O2
Molecular Weight485.44 g/mol
Exact Mass485.15
IUPAC Name2-[5-fluoro-2-(trifluoromethyl)phenyl]-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)F)nc12
InChIInChI=1S/C24H19F4N5O2/c25-14-3-4-19(24(26,27)28)17(10-14)22-31-20-12-16(33-6-8-35-9-7-33)11-18(21(20)32-22)23(34)30-15-2-1-5-29-13-15/h1-5,10-13H,6-9H2,(H,30,34)(H,31,32)
InChIKeyRRABBFBFEWEBKF-UHFFFAOYSA-N
XLogP4.87
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.44
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 58278778
2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-pyridin-3-yl-3H-imidazo[4,5-c]pyridine-7-carboxamide
CID 58279287
2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide
CID 58279227
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-[4-(3-fluoropyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 76739437
2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58279405
2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)-1H-benzimidazole-4-carboxamide
CID 58279089
N-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279014
2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(3-piperidin-4-yloxyphenyl)-1H-benzimidazole-4-carboxamide
CID 58278975
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51324941
2-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 58279357

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[5-fluoro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide (CID 58279370) is 2-[5-fluoro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[5-fluoro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[5-fluoro-2-(trifluoromethyl)phenyl]-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)F)nc12.
What is the InChIKey of 2-[5-fluoro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is RRABBFBFEWEBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N5O2/c25-14-3-4-19(24(26,27)28)17(10-14)22-31-20-12-16(33-6-8-35-9-7-33)11-18(21(20)32-22)23(34)30-15-2-1-5-29-13-15/h1-5,10-13H,6-9H2,(H,30,34)(H,31,32).
What are the key properties of 2-[5-fluoro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
2-[5-fluoro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 485.44 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58279370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).