6-[2-[4-cyclopentyl-3-(trifluoromethyl)phenyl]ethyl]-2-propyl-1H-benzimidazole

C24H27F3N2 — CID 146663485

IUPAC6-[2-[4-cyclopentyl-3-(trifluoromethyl)phenyl]ethyl]-2-propyl-1H-benzimidazole
SMILESCCCc1nc2ccc(CCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc2[nH]1
InChIInChI=1S/C24H27F3N2/c1-2-5-23-28-21-13-11-17(15-22(21)29-23)9-8-16-10-12-19(18-6-3-4-7-18)20(14-16)24(25,26)27/h10-15,18H,2-9H2,1H3,(H,28,29)
InChIKeyWRTAKCKXDFGGAW-UHFFFAOYSA-N
MW400.49 g/mol
LogP6.98
Rot. Bonds6

About 6-[2-[4-cyclopentyl-3-(trifluoromethyl)phenyl]ethyl]-2-propyl-1H-benzimidazole

6-[2-[4-cyclopentyl-3-(trifluoromethyl)phenyl]ethyl]-2-propyl-1H-benzimidazole (PubChem CID 146663485) has the molecular formula C24H27F3N2 and a molecular weight of 400.49 g/mol. Its IUPAC name is 6-[2-[4-cyclopentyl-3-(trifluoromethyl)phenyl]ethyl]-2-propyl-1H-benzimidazole.

Molecular Properties

Compound Name6-[2-[4-cyclopentyl-3-(trifluoromethyl)phenyl]ethyl]-2-propyl-1H-benzimidazole
PubChem CID146663485
Molecular FormulaC24H27F3N2
Molecular Weight400.49 g/mol
Exact Mass400.21
IUPAC Name6-[2-[4-cyclopentyl-3-(trifluoromethyl)phenyl]ethyl]-2-propyl-1H-benzimidazole
SMILESCCCc1nc2ccc(CCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc2[nH]1
InChIInChI=1S/C24H27F3N2/c1-2-5-23-28-21-13-11-17(15-22(21)29-23)9-8-16-10-12-19(18-6-3-4-7-18)20(14-16)24(25,26)27/h10-15,18H,2-9H2,1H3,(H,28,29)
InChIKeyWRTAKCKXDFGGAW-UHFFFAOYSA-N
XLogP6.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.49
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-cyclopentyl-3-(trifluoromethyl)phenyl]ethyl]-2-propyl-1H-benzimidazole?
The IUPAC name of 6-[2-[4-cyclopentyl-3-(trifluoromethyl)phenyl]ethyl]-2-propyl-1H-benzimidazole (CID 146663485) is 6-[2-[4-cyclopentyl-3-(trifluoromethyl)phenyl]ethyl]-2-propyl-1H-benzimidazole.
What is the SMILES notation for 6-[2-[4-cyclopentyl-3-(trifluoromethyl)phenyl]ethyl]-2-propyl-1H-benzimidazole?
The canonical SMILES for 6-[2-[4-cyclopentyl-3-(trifluoromethyl)phenyl]ethyl]-2-propyl-1H-benzimidazole is CCCc1nc2ccc(CCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc2[nH]1.
What is the InChIKey of 6-[2-[4-cyclopentyl-3-(trifluoromethyl)phenyl]ethyl]-2-propyl-1H-benzimidazole?
The InChIKey is WRTAKCKXDFGGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2/c1-2-5-23-28-21-13-11-17(15-22(21)29-23)9-8-16-10-12-19(18-6-3-4-7-18)20(14-16)24(25,26)27/h10-15,18H,2-9H2,1H3,(H,28,29).
What are the key properties of 6-[2-[4-cyclopentyl-3-(trifluoromethyl)phenyl]ethyl]-2-propyl-1H-benzimidazole?
6-[2-[4-cyclopentyl-3-(trifluoromethyl)phenyl]ethyl]-2-propyl-1H-benzimidazole has a molecular weight of 400.49 g/mol, XLogP of 6.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-cyclopentyl-3-(trifluoromethyl)phenyl]ethyl]-2-propyl-1H-benzimidazole is sourced from PubChem (CID 146663485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).