N-[5-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridin-3-yloxybenzamide

C20H12ClF3N4O2 — CID 11189687

IUPACN-[5-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridin-3-yloxybenzamide
SMILESO=C(Nc1nc2c(C(F)(F)F)c(Cl)ccc2[nH]1)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C20H12ClF3N4O2/c21-14-7-8-15-17(16(14)20(22,23)24)27-19(26-15)28-18(29)11-3-5-12(6-4-11)30-13-2-1-9-25-10-13/h1-10H,(H2,26,27,28,29)
InChIKeyAXGHGLKLIOPICW-UHFFFAOYSA-N
MW432.79 g/mol
LogP5.67
Rot. Bonds4

About N-[5-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridin-3-yloxybenzamide

N-[5-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridin-3-yloxybenzamide (PubChem CID 11189687) has the molecular formula C20H12ClF3N4O2 and a molecular weight of 432.79 g/mol. Its IUPAC name is N-[5-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridin-3-yloxybenzamide.

Molecular Properties

Compound NameN-[5-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridin-3-yloxybenzamide
PubChem CID11189687
Molecular FormulaC20H12ClF3N4O2
Molecular Weight432.79 g/mol
Exact Mass432.06
IUPAC NameN-[5-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridin-3-yloxybenzamide
SMILESO=C(Nc1nc2c(C(F)(F)F)c(Cl)ccc2[nH]1)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C20H12ClF3N4O2/c21-14-7-8-15-17(16(14)20(22,23)24)27-19(26-15)28-18(29)11-3-5-12(6-4-11)30-13-2-1-9-25-10-13/h1-10H,(H2,26,27,28,29)
InChIKeyAXGHGLKLIOPICW-UHFFFAOYSA-N
XLogP5.67
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.79
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyridin-3-yloxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 47995157
[2-[(4-phenoxybenzoyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate
CID 89120574
N-(1H-benzimidazol-2-yl)-4-pyridin-4-yloxybenzamide
CID 11771861
4-pyridin-3-yloxybenzoic acid
CID 22261667
3-chloro-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 58337701
5-chloro-N-(3-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide
CID 68706160
N-(2-hydroxy-6-methylphenyl)-4-pyridin-3-yloxybenzamide
CID 122159109
N-(5-tert-butyl-2-hydroxyphenyl)-4-pyridin-3-yloxybenzamide
CID 60588539
N-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide
CID 60589032
1-(4-pyridin-3-yloxyphenyl)ethanone
CID 3016094
6-chloro-N-(4-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide
CID 68706033
4-phenoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 16651583

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridin-3-yloxybenzamide?
The IUPAC name of N-[5-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridin-3-yloxybenzamide (CID 11189687) is N-[5-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridin-3-yloxybenzamide.
What is the SMILES notation for N-[5-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridin-3-yloxybenzamide?
The canonical SMILES for N-[5-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridin-3-yloxybenzamide is O=C(Nc1nc2c(C(F)(F)F)c(Cl)ccc2[nH]1)c1ccc(Oc2cccnc2)cc1.
What is the InChIKey of N-[5-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridin-3-yloxybenzamide?
The InChIKey is AXGHGLKLIOPICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N4O2/c21-14-7-8-15-17(16(14)20(22,23)24)27-19(26-15)28-18(29)11-3-5-12(6-4-11)30-13-2-1-9-25-10-13/h1-10H,(H2,26,27,28,29).
What are the key properties of N-[5-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridin-3-yloxybenzamide?
N-[5-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridin-3-yloxybenzamide has a molecular weight of 432.79 g/mol, XLogP of 5.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridin-3-yloxybenzamide is sourced from PubChem (CID 11189687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).