2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide

C26H24F3N5O2 — CID 58279301

IUPAC2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
SMILESCC1(C)CN(c2ccc(-c3nc4c(C(=O)Nc5cccnc5)cccc4[nH]3)c(C(F)(F)F)c2)CCO1
InChIInChI=1S/C26H24F3N5O2/c1-25(2)15-34(11-12-36-25)17-8-9-18(20(13-17)26(27,28)29)23-32-21-7-3-6-19(22(21)33-23)24(35)31-16-5-4-10-30-14-16/h3-10,13-14H,11-12,15H2,1-2H3,(H,31,35)(H,32,33)
InChIKeyFPGXJAFWHXTAIA-UHFFFAOYSA-N
MW495.51 g/mol
LogP5.51
Rot. Bonds4

About 2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide

2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide (PubChem CID 58279301) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
PubChem CID58279301
Molecular FormulaC26H24F3N5O2
Molecular Weight495.51 g/mol
Exact Mass495.19
IUPAC Name2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
SMILESCC1(C)CN(c2ccc(-c3nc4c(C(=O)Nc5cccnc5)cccc4[nH]3)c(C(F)(F)F)c2)CCO1
InChIInChI=1S/C26H24F3N5O2/c1-25(2)15-34(11-12-36-25)17-8-9-18(20(13-17)26(27,28)29)23-32-21-7-3-6-19(22(21)33-23)24(35)31-16-5-4-10-30-14-16/h3-10,13-14H,11-12,15H2,1-2H3,(H,31,35)(H,32,33)
InChIKeyFPGXJAFWHXTAIA-UHFFFAOYSA-N
XLogP5.51
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.51
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 58279370
2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-pyridin-3-yl-3H-imidazo[4,5-c]pyridine-7-carboxamide
CID 58279287
2-[4-(2-methylidenemorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-(5-phenyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 88946496
N-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279014
2-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 58279357
N-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 67203480
2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(3-piperidin-4-yloxyphenyl)-1H-benzimidazole-4-carboxamide
CID 58278975
2-[2-(difluoromethyl)-5-fluorophenyl]-6-morpholin-4-yl-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 58278778
2-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278970
2-[4-chloro-2-(trifluoromethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279101

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide (CID 58279301) is 2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide is CC1(C)CN(c2ccc(-c3nc4c(C(=O)Nc5cccnc5)cccc4[nH]3)c(C(F)(F)F)c2)CCO1.
What is the InChIKey of 2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is FPGXJAFWHXTAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O2/c1-25(2)15-34(11-12-36-25)17-8-9-18(20(13-17)26(27,28)29)23-32-21-7-3-6-19(22(21)33-23)24(35)31-16-5-4-10-30-14-16/h3-10,13-14H,11-12,15H2,1-2H3,(H,31,35)(H,32,33).
What are the key properties of 2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 495.51 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58279301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).