2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide

C21H13ClF3N3O2 — CID 10181185

IUPAC2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(Oc4ccc(Cl)c(C(F)(F)F)c4)cc3)[nH]c2c1
InChIInChI=1S/C21H13ClF3N3O2/c22-16-7-6-14(10-15(16)21(23,24)25)30-13-4-1-11(2-5-13)20-27-17-8-3-12(19(26)29)9-18(17)28-20/h1-10H,(H2,26,29)(H,27,28)
InChIKeyCMWOTYZIHHRJRP-UHFFFAOYSA-N
MW431.80 g/mol
LogP5.79
Rot. Bonds4

About 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 10181185) has the molecular formula C21H13ClF3N3O2 and a molecular weight of 431.80 g/mol. Its IUPAC name is 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID10181185
Molecular FormulaC21H13ClF3N3O2
Molecular Weight431.80 g/mol
Exact Mass431.06
IUPAC Name2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(Oc4ccc(Cl)c(C(F)(F)F)c4)cc3)[nH]c2c1
InChIInChI=1S/C21H13ClF3N3O2/c22-16-7-6-14(10-15(16)21(23,24)25)30-13-4-1-11(2-5-13)20-27-17-8-3-12(19(26)29)9-18(17)28-20/h1-10H,(H2,26,29)(H,27,28)
InChIKeyCMWOTYZIHHRJRP-UHFFFAOYSA-N
XLogP5.79
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.80
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Sant-2
CID 1367095
2-(4-(4-chlorophenoxy)phenyl)-1H-benzimidazole-5-carboxamide
CID 9969021
2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11501187
2-(4-{[1-(4-Chlorobenzyl)piperidin-4-Yl]methoxy}phenyl)-1h-Benzimidazole-5-Carboxamide
CID 11518511
2-{4-[(1-Benzylpiperidin-4-YL)methoxy]phenyl}-1H-benzimidazole-6-carboxamide
CID 11524997
2-(4-(3-Hydroxyphenoxy)phenyl)-1h-Benzo[d]imidazole-5-Carboxamide
CID 11371378
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide
CID 1367400
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide
CID 2208803
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide
CID 5343894
2-(4-p-Tolyloxy-phenyl)-1H-benzoimidazole-5-carboxylic acid amide
CID 9902666
2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 9923564
2-[4-(4-Methoxy-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 9924991

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide (CID 10181185) is 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(Oc4ccc(Cl)c(C(F)(F)F)c4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is CMWOTYZIHHRJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF3N3O2/c22-16-7-6-14(10-15(16)21(23,24)25)30-13-4-1-11(2-5-13)20-27-17-8-3-12(19(26)29)9-18(17)28-20/h1-10H,(H2,26,29)(H,27,28).
What are the key properties of 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 431.80 g/mol, XLogP of 5.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10181185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).