5-chloro-N-(3-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide

C20H12ClF3N4O2 — CID 68706160

IUPAC5-chloro-N-(3-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide
SMILESO=C(Nc1cccc(Oc2cccnc2)c1)c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C20H12ClF3N4O2/c21-15-9-17-16(8-14(15)20(22,23)24)27-18(28-17)19(29)26-11-3-1-4-12(7-11)30-13-5-2-6-25-10-13/h1-10H,(H,26,29)(H,27,28)
InChIKeyUHOMTCVMCTWWLB-UHFFFAOYSA-N
MW432.79 g/mol
LogP5.67
Rot. Bonds4

About 5-chloro-N-(3-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide

5-chloro-N-(3-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide (PubChem CID 68706160) has the molecular formula C20H12ClF3N4O2 and a molecular weight of 432.79 g/mol. Its IUPAC name is 5-chloro-N-(3-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide
PubChem CID68706160
Molecular FormulaC20H12ClF3N4O2
Molecular Weight432.79 g/mol
Exact Mass432.06
IUPAC Name5-chloro-N-(3-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide
SMILESO=C(Nc1cccc(Oc2cccnc2)c1)c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C20H12ClF3N4O2/c21-15-9-17-16(8-14(15)20(22,23)24)27-18(28-17)19(29)26-11-3-1-4-12(7-11)30-13-5-2-6-25-10-13/h1-10H,(H,26,29)(H,27,28)
InChIKeyUHOMTCVMCTWWLB-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

N-(3-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide
CID 58858401
6-chloro-N-(4-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide
CID 68706033
3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337430
N-(3-fluorophenyl)-4-pyridin-3-yloxypyridine-2-carboxamide
CID 51038609
3-chloro-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 58337701
3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337716
1-[3-[(2-amino-5-pyridin-3-yl-3-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 139489278
N-[5-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridin-3-yloxybenzamide
CID 11189687
N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide
CID 143770344
4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[3-(2-pyridin-3-ylacetyl)phenyl]benzamide
CID 148642856
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]urea
CID 46228792

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide (CID 68706160) is 5-chloro-N-(3-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide is O=C(Nc1cccc(Oc2cccnc2)c1)c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 5-chloro-N-(3-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide?
The InChIKey is UHOMTCVMCTWWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N4O2/c21-15-9-17-16(8-14(15)20(22,23)24)27-18(28-17)19(29)26-11-3-1-4-12(7-11)30-13-5-2-6-25-10-13/h1-10H,(H,26,29)(H,27,28).
What are the key properties of 5-chloro-N-(3-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide?
5-chloro-N-(3-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide 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 5-chloro-N-(3-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 68706160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).