4-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C20H18ClF3N4O — CID 1429886

IUPAC4-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C20H18ClF3N4O/c21-13-5-6-16-17(11-13)26-18(25-16)12-7-9-28(10-8-12)19(29)27-15-4-2-1-3-14(15)20(22,23)24/h1-6,11-12H,7-10H2,(H,25,26)(H,27,29)
InChIKeyJCSRVNGTESUGTC-UHFFFAOYSA-N
MW422.84 g/mol
LogP5.65
Rot. Bonds2

About 4-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 1429886) has the molecular formula C20H18ClF3N4O and a molecular weight of 422.84 g/mol. Its IUPAC name is 4-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID1429886
Molecular FormulaC20H18ClF3N4O
Molecular Weight422.84 g/mol
Exact Mass422.11
IUPAC Name4-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C20H18ClF3N4O/c21-13-5-6-16-17(11-13)26-18(25-16)12-7-9-28(10-8-12)19(29)27-15-4-2-1-3-14(15)20(22,23)24/h1-6,11-12H,7-10H2,(H,25,26)(H,27,29)
InChIKeyJCSRVNGTESUGTC-UHFFFAOYSA-N
XLogP5.65
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.84
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-chloro-1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carboxamide
CID 1429783
4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 1429871
4-(6-chloro-1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 43815842
2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 43815822
4-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanoate
CID 6985710
(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 51895142
(2S)-2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,6-dimethylphenyl)propanamide
CID 1453129
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
4-(1H-benzimidazol-2-yl)-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 23605637
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121165130
4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90558855

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 1429886) is 4-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1.
What is the InChIKey of 4-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is JCSRVNGTESUGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N4O/c21-13-5-6-16-17(11-13)26-18(25-16)12-7-9-28(10-8-12)19(29)27-15-4-2-1-3-14(15)20(22,23)24/h1-6,11-12H,7-10H2,(H,25,26)(H,27,29).
What are the key properties of 4-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 422.84 g/mol, XLogP of 5.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 1429886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).