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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Related Compounds

3-(6-chloro-2-cyclohexylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine
CID 46308858
2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 84818178
N,N-diethyl-3-[2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine
CID 46308801
N,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine
CID 155544312
2-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-N,N-diethylethanamine
CID 46309386
3-[2-(benzotriazol-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 6481608
[1-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzimidazol-2-yl]methanol
CID 46309336
N-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine
CID 46309723
N-[3-[2-(3-aminopropyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine
CID 46309733
3-[1-[3-(dibutylamino)propyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
CID 46309614
3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol
CID 13105617
1-(2-ethoxyethyl)-2-pyrrolidin-2-yl-5-(trifluoromethyl)benzimidazole
CID 46309308

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).