4-chloro-2-(4-piperidin-1-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole

C19H17ClF3N3 — CID 130237641

IUPAC4-chloro-2-(4-piperidin-1-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1cc(Cl)c2nc(-c3ccc(N4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C19H17ClF3N3/c20-15-10-13(19(21,22)23)11-16-17(15)25-18(24-16)12-4-6-14(7-5-12)26-8-2-1-3-9-26/h4-7,10-11H,1-3,8-9H2,(H,24,25)
InChIKeyOIEYZYRUGHMAKU-UHFFFAOYSA-N
MW379.81 g/mol
LogP5.89
Rot. Bonds2

About 4-chloro-2-(4-piperidin-1-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole

4-chloro-2-(4-piperidin-1-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 130237641) has the molecular formula C19H17ClF3N3 and a molecular weight of 379.81 g/mol. Its IUPAC name is 4-chloro-2-(4-piperidin-1-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(4-piperidin-1-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID130237641
Molecular FormulaC19H17ClF3N3
Molecular Weight379.81 g/mol
Exact Mass379.11
IUPAC Name4-chloro-2-(4-piperidin-1-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1cc(Cl)c2nc(-c3ccc(N4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C19H17ClF3N3/c20-15-10-13(19(21,22)23)11-16-17(15)25-18(24-16)12-4-6-14(7-5-12)26-8-2-1-3-9-26/h4-7,10-11H,1-3,8-9H2,(H,24,25)
InChIKeyOIEYZYRUGHMAKU-UHFFFAOYSA-N
XLogP5.89
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.81
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-piperidin-1-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 4-chloro-2-(4-piperidin-1-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole (CID 130237641) is 4-chloro-2-(4-piperidin-1-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 4-chloro-2-(4-piperidin-1-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 4-chloro-2-(4-piperidin-1-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1cc(Cl)c2nc(-c3ccc(N4CCCCC4)cc3)[nH]c2c1.
What is the InChIKey of 4-chloro-2-(4-piperidin-1-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is OIEYZYRUGHMAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3/c20-15-10-13(19(21,22)23)11-16-17(15)25-18(24-16)12-4-6-14(7-5-12)26-8-2-1-3-9-26/h4-7,10-11H,1-3,8-9H2,(H,24,25).
What are the key properties of 4-chloro-2-(4-piperidin-1-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole?
4-chloro-2-(4-piperidin-1-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 379.81 g/mol, XLogP of 5.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-piperidin-1-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 130237641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).