ethane;1-methyl-2-(trifluoromethyl)benzimidazol-4-amine

C11H14F3N3 — CID 143205877

IUPACethane;1-methyl-2-(trifluoromethyl)benzimidazol-4-amine
SMILESCC.Cn1c(C(F)(F)F)nc2c(N)cccc21
InChIInChI=1S/C9H8F3N3.C2H6/c1-15-6-4-2-3-5(13)7(6)14-8(15)9(10,11)12;1-2/h2-4H,13H2,1H3;1-2H3
InChIKeyIHPLKFJZRVIEDM-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.20
Rot. Bonds

About ethane;1-methyl-2-(trifluoromethyl)benzimidazol-4-amine

ethane;1-methyl-2-(trifluoromethyl)benzimidazol-4-amine (PubChem CID 143205877) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is ethane;1-methyl-2-(trifluoromethyl)benzimidazol-4-amine.

Molecular Properties

Compound Nameethane;1-methyl-2-(trifluoromethyl)benzimidazol-4-amine
PubChem CID143205877
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Nameethane;1-methyl-2-(trifluoromethyl)benzimidazol-4-amine
SMILESCC.Cn1c(C(F)(F)F)nc2c(N)cccc21
InChIInChI=1S/C9H8F3N3.C2H6/c1-15-6-4-2-3-5(13)7(6)14-8(15)9(10,11)12;1-2/h2-4H,13H2,1H3;1-2H3
InChIKeyIHPLKFJZRVIEDM-UHFFFAOYSA-N
XLogP3.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole
CID 18316636
[1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]boronic acid
CID 133054302
1-(2-phenylethyl)-2-(trifluoromethyl)benzimidazol-4-amine
CID 82068309
3-methyl-2-(trifluoromethyl)benzimidazol-4-amine
CID 84680783
2-(trifluoromethyl)quinolin-8-amine
CID 129451588
1-propan-2-ylbenzimidazole-2,4-diamine
CID 84771598
1-methyl-2-pyridin-3-ylbenzimidazol-4-amine
CID 82068140
8-bromo-3-methyl-2-(trifluoromethyl)quinazolin-4-one
CID 90004402
2-[4-amino-2-(trifluoromethyl)benzimidazol-1-yl]-1-morpholin-2-ylethanone
CID 67636618
4-bromo-2-tert-butyl-1-methylbenzimidazole
CID 82379645
3,5-dimethyl-2-(trifluoromethyl)imidazol-4-amine
CID 82373975
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-(trifluoromethyl)benzimidazol-4-amine?
The IUPAC name of ethane;1-methyl-2-(trifluoromethyl)benzimidazol-4-amine (CID 143205877) is ethane;1-methyl-2-(trifluoromethyl)benzimidazol-4-amine.
What is the SMILES notation for ethane;1-methyl-2-(trifluoromethyl)benzimidazol-4-amine?
The canonical SMILES for ethane;1-methyl-2-(trifluoromethyl)benzimidazol-4-amine is CC.Cn1c(C(F)(F)F)nc2c(N)cccc21.
What is the InChIKey of ethane;1-methyl-2-(trifluoromethyl)benzimidazol-4-amine?
The InChIKey is IHPLKFJZRVIEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3.C2H6/c1-15-6-4-2-3-5(13)7(6)14-8(15)9(10,11)12;1-2/h2-4H,13H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-2-(trifluoromethyl)benzimidazol-4-amine?
ethane;1-methyl-2-(trifluoromethyl)benzimidazol-4-amine has a molecular weight of 245.25 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-(trifluoromethyl)benzimidazol-4-amine is sourced from PubChem (CID 143205877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).