N-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide

C24H20F3N5O — CID 58279014

IUPACN-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc2[nH]c(-c3cc(N4CCCC4)ccc3C(F)(F)F)nc12
InChIInChI=1S/C24H20F3N5O/c25-24(26,27)18-10-9-15(32-12-3-4-13-32)14-17(18)22-29-19-7-5-6-16(21(19)31-22)23(33)30-20-8-1-2-11-28-20/h1-2,5-11,14H,3-4,12-13H2,(H,29,31)(H,28,30,33)
InChIKeyBNIDGMJFCJNDCT-UHFFFAOYSA-N
MW451.45 g/mol
LogP5.50
Rot. Bonds4

About N-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide

N-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 58279014) has the molecular formula C24H20F3N5O and a molecular weight of 451.45 g/mol. Its IUPAC name is N-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID58279014
Molecular FormulaC24H20F3N5O
Molecular Weight451.45 g/mol
Exact Mass451.16
IUPAC NameN-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc2[nH]c(-c3cc(N4CCCC4)ccc3C(F)(F)F)nc12
InChIInChI=1S/C24H20F3N5O/c25-24(26,27)18-10-9-15(32-12-3-4-13-32)14-17(18)22-29-19-7-5-6-16(21(19)31-22)23(33)30-20-8-1-2-11-28-20/h1-2,5-11,14H,3-4,12-13H2,(H,29,31)(H,28,30,33)
InChIKeyBNIDGMJFCJNDCT-UHFFFAOYSA-N
XLogP5.50
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(difluoromethyl)-4-pyrrolidin-1-ylphenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279318
2-[4-chloro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279038
2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279059
2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58279405
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-(3-fluoropyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 76739437
2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)-1H-benzimidazole-4-carboxamide
CID 58279089
N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279080
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[5-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 70932707
2-[4-(2-methylidenemorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-(5-phenyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 88946496
2-[2-(difluoromethyl)-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279447
2-[4-chloro-2-(trifluoromethyl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)-1H-benzimidazole-4-carboxamide
CID 58279308

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide (CID 58279014) is N-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide is O=C(Nc1ccccn1)c1cccc2[nH]c(-c3cc(N4CCCC4)ccc3C(F)(F)F)nc12.
What is the InChIKey of N-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is BNIDGMJFCJNDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O/c25-24(26,27)18-10-9-15(32-12-3-4-13-32)14-17(18)22-29-19-7-5-6-16(21(19)31-22)23(33)30-20-8-1-2-11-28-20/h1-2,5-11,14H,3-4,12-13H2,(H,29,31)(H,28,30,33).
What are the key properties of N-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
N-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 451.45 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58279014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).