1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine

C9H8F3N3O — CID 69449777

IUPAC1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine
SMILESCn1c(N)nc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C9H8F3N3O/c1-15-7-3-2-5(16-9(10,11)12)4-6(7)14-8(15)13/h2-4H,1H3,(H2,13,14)
InChIKeyQSEARZBVRHBESL-UHFFFAOYSA-N
MW231.18 g/mol
LogP2.05
Rot. Bonds1

About 1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine

1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine (PubChem CID 69449777) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine
PubChem CID69449777
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine
SMILESCn1c(N)nc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C9H8F3N3O/c1-15-7-3-2-5(16-9(10,11)12)4-6(7)14-8(15)13/h2-4H,1H3,(H2,13,14)
InChIKeyQSEARZBVRHBESL-UHFFFAOYSA-N
XLogP2.05
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-[[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid
CID 155083643
[1-methyl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanol
CID 122424190
5,6-difluoro-1-methylbenzimidazol-2-amine
CID 82359172
1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-amine
CID 62507837
N-(1-methylbenzimidazol-2-yl)-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 130297051
methyl 1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate
CID 58397510
6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
CID 6419992
3-ethyl-2-[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]pyridine-4-sulfonic acid
CID 151248574
1-[1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazol-5-yl]propan-1-one
CID 58397699
[1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine
CID 125479327
N,1-bis(prop-2-ynyl)-5-(trifluoromethoxy)benzimidazol-2-amine
CID 11529437
5-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzotriazole
CID 171483142

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine?
The IUPAC name of 1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine (CID 69449777) is 1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine.
What is the SMILES notation for 1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine?
The canonical SMILES for 1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine is Cn1c(N)nc2cc(OC(F)(F)F)ccc21.
What is the InChIKey of 1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine?
The InChIKey is QSEARZBVRHBESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c1-15-7-3-2-5(16-9(10,11)12)4-6(7)14-8(15)13/h2-4H,1H3,(H2,13,14).
What are the key properties of 1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine?
1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine has a molecular weight of 231.18 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine is sourced from PubChem (CID 69449777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).