4-[4-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline

C26H25ClF3N3 — CID 134285273

IUPAC4-[4-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccc2nccc(C3CCC(CCCc4nc5ccc(Cl)cc5[nH]4)CC3)c2c1
InChIInChI=1S/C26H25ClF3N3/c27-19-9-11-23-24(15-19)33-25(32-23)3-1-2-16-4-6-17(7-5-16)20-12-13-31-22-10-8-18(14-21(20)22)26(28,29)30/h8-17H,1-7H2,(H,32,33)
InChIKeyDRBNRPULUGDTGY-UHFFFAOYSA-N
MW471.95 g/mol
LogP8.08
Rot. Bonds5

About 4-[4-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline

4-[4-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline (PubChem CID 134285273) has the molecular formula C26H25ClF3N3 and a molecular weight of 471.95 g/mol. Its IUPAC name is 4-[4-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[4-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline
PubChem CID134285273
Molecular FormulaC26H25ClF3N3
Molecular Weight471.95 g/mol
Exact Mass471.17
IUPAC Name4-[4-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccc2nccc(C3CCC(CCCc4nc5ccc(Cl)cc5[nH]4)CC3)c2c1
InChIInChI=1S/C26H25ClF3N3/c27-19-9-11-23-24(15-19)33-25(32-23)3-1-2-16-4-6-17(7-5-16)20-12-13-31-22-10-8-18(14-21(20)22)26(28,29)30/h8-17H,1-7H2,(H,32,33)
InChIKeyDRBNRPULUGDTGY-UHFFFAOYSA-N
XLogP8.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.95
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline?
The IUPAC name of 4-[4-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline (CID 134285273) is 4-[4-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[4-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[4-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline is FC(F)(F)c1ccc2nccc(C3CCC(CCCc4nc5ccc(Cl)cc5[nH]4)CC3)c2c1.
What is the InChIKey of 4-[4-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline?
The InChIKey is DRBNRPULUGDTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF3N3/c27-19-9-11-23-24(15-19)33-25(32-23)3-1-2-16-4-6-17(7-5-16)20-12-13-31-22-10-8-18(14-21(20)22)26(28,29)30/h8-17H,1-7H2,(H,32,33).
What are the key properties of 4-[4-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline?
4-[4-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline has a molecular weight of 471.95 g/mol, XLogP of 8.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]-6-(trifluoromethyl)quinoline is sourced from PubChem (CID 134285273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).