[1-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzimidazol-2-yl]methanol

C15H20F3N3O — CID 46309336

IUPAC[1-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzimidazol-2-yl]methanol
SMILESCCN(CC)CCn1c(CO)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H20F3N3O/c1-3-20(4-2)7-8-21-13-6-5-11(15(16,17)18)9-12(13)19-14(21)10-22/h5-6,9,22H,3-4,7-8,10H2,1-2H3
InChIKeyZHSZQIYMIVPWIO-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.89
Rot. Bonds6

About [1-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzimidazol-2-yl]methanol

[1-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzimidazol-2-yl]methanol (PubChem CID 46309336) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is [1-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzimidazol-2-yl]methanol
PubChem CID46309336
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name[1-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzimidazol-2-yl]methanol
SMILESCCN(CC)CCn1c(CO)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H20F3N3O/c1-3-20(4-2)7-8-21-13-6-5-11(15(16,17)18)9-12(13)19-14(21)10-22/h5-6,9,22H,3-4,7-8,10H2,1-2H3
InChIKeyZHSZQIYMIVPWIO-UHFFFAOYSA-N
XLogP2.89
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-chlorophenoxy)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylethanamine
CID 46309330
3-[1-[3-(dibutylamino)propyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
CID 46309614
N,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine
CID 155544312
N,N-diethyl-3-[2-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine
CID 46308801
3-[2-(benzotriazol-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 6481608
N-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine
CID 46309723
2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310801
3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol
CID 46308496
N-[3-[2-(3-aminopropyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine
CID 46309733
3-[2-cyclohexyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 46308794
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine
CID 43660321
2-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanol
CID 46308123

Frequently Asked Questions

What is the IUPAC name of [1-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzimidazol-2-yl]methanol?
The IUPAC name of [1-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzimidazol-2-yl]methanol (CID 46309336) is [1-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzimidazol-2-yl]methanol?
The canonical SMILES for [1-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzimidazol-2-yl]methanol is CCN(CC)CCn1c(CO)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of [1-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzimidazol-2-yl]methanol?
The InChIKey is ZHSZQIYMIVPWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-3-20(4-2)7-8-21-13-6-5-11(15(16,17)18)9-12(13)19-14(21)10-22/h5-6,9,22H,3-4,7-8,10H2,1-2H3.
What are the key properties of [1-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzimidazol-2-yl]methanol?
[1-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzimidazol-2-yl]methanol has a molecular weight of 315.34 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 46309336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).