3-amino-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol

C12H14F3N3O — CID 81456809

IUPAC3-amino-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
SMILESCn1c(C(N)CCO)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H14F3N3O/c1-18-10-3-2-7(12(13,14)15)6-9(10)17-11(18)8(16)4-5-19/h2-3,6,8,19H,4-5,16H2,1H3
InChIKeyRANPOBYEYMMXIA-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.97
Rot. Bonds3

About 3-amino-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol

3-amino-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol (PubChem CID 81456809) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 3-amino-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
PubChem CID81456809
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name3-amino-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
SMILESCn1c(C(N)CCO)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H14F3N3O/c1-18-10-3-2-7(12(13,14)15)6-9(10)17-11(18)8(16)4-5-19/h2-3,6,8,19H,4-5,16H2,1H3
InChIKeyRANPOBYEYMMXIA-UHFFFAOYSA-N
XLogP1.97
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-amine
CID 81456416
2-methoxy-1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 81455058
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine
CID 81456011
1-methyl-5-(trifluoromethyl)benzimidazole-2-carbaldehyde;hydrate
CID 135741274
3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropan-1-ol
CID 84617340
3-[2-butan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol
CID 46308378
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310390
1-(dimethylamino)-3-[1-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethylamino]propan-2-ol
CID 110010475
3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 61230255
1-(5-fluoro-1-methylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine
CID 54919691
(3R)-3-amino-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-1-ol
CID 131873275
1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole
CID 134095240

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-amino-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol (CID 81456809) is 3-amino-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-amino-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-amino-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol is Cn1c(C(N)CCO)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-amino-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol?
The InChIKey is RANPOBYEYMMXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-18-10-3-2-7(12(13,14)15)6-9(10)17-11(18)8(16)4-5-19/h2-3,6,8,19H,4-5,16H2,1H3.
What are the key properties of 3-amino-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol?
3-amino-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol has a molecular weight of 273.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 81456809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).