3-[2-cyclohexyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine

C21H30F3N3 — CID 46308794

IUPAC3-[2-cyclohexyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCn1c(C2CCCCC2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C21H30F3N3/c1-3-26(4-2)13-8-14-27-19-12-11-17(21(22,23)24)15-18(19)25-20(27)16-9-6-5-7-10-16/h11-12,15-16H,3-10,13-14H2,1-2H3
InChIKeyPHFKIGZEPLOILC-UHFFFAOYSA-N
MW381.49 g/mol
LogP5.83
Rot. Bonds7

About 3-[2-cyclohexyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine

3-[2-cyclohexyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine (PubChem CID 46308794) has the molecular formula C21H30F3N3 and a molecular weight of 381.49 g/mol. Its IUPAC name is 3-[2-cyclohexyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-cyclohexyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
PubChem CID46308794
Molecular FormulaC21H30F3N3
Molecular Weight381.49 g/mol
Exact Mass381.24
IUPAC Name3-[2-cyclohexyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCn1c(C2CCCCC2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C21H30F3N3/c1-3-26(4-2)13-8-14-27-19-12-11-17(21(22,23)24)15-18(19)25-20(27)16-9-6-5-7-10-16/h11-12,15-16H,3-10,13-14H2,1-2H3
InChIKeyPHFKIGZEPLOILC-UHFFFAOYSA-N
XLogP5.83
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.49
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclohexyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine?
The IUPAC name of 3-[2-cyclohexyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine (CID 46308794) is 3-[2-cyclohexyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-[2-cyclohexyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-[2-cyclohexyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine is CCN(CC)CCCn1c(C2CCCCC2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-[2-cyclohexyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine?
The InChIKey is PHFKIGZEPLOILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F3N3/c1-3-26(4-2)13-8-14-27-19-12-11-17(21(22,23)24)15-18(19)25-20(27)16-9-6-5-7-10-16/h11-12,15-16H,3-10,13-14H2,1-2H3.
What are the key properties of 3-[2-cyclohexyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine?
3-[2-cyclohexyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine has a molecular weight of 381.49 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclohexyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine is sourced from PubChem (CID 46308794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).