2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine

C11H12F3N3 — CID 46310390

IUPAC2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
SMILESCn1c(CCN)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C11H12F3N3/c1-17-9-3-2-7(11(12,13)14)6-8(9)16-10(17)4-5-15/h2-3,6H,4-5,15H2,1H3
InChIKeyZMIHXOIBOJDECR-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.09
Rot. Bonds2

About 2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine

2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine (PubChem CID 46310390) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
PubChem CID46310390
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC Name2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
SMILESCn1c(CCN)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C11H12F3N3/c1-17-9-3-2-7(11(12,13)14)6-8(9)16-10(17)4-5-15/h2-3,6H,4-5,15H2,1H3
InChIKeyZMIHXOIBOJDECR-UHFFFAOYSA-N
XLogP2.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310801
N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine
CID 81455530
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine
CID 80711654
2-ethyl-2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine
CID 115430280
N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline
CID 75398519
2-[1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46309591
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine
CID 81456011
2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310275
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole
CID 131948620
1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole
CID 134095240

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine (CID 46310390) is 2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine is Cn1c(CCN)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
The InChIKey is ZMIHXOIBOJDECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3/c1-17-9-3-2-7(11(12,13)14)6-8(9)16-10(17)4-5-15/h2-3,6H,4-5,15H2,1H3.
What are the key properties of 2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine has a molecular weight of 243.23 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 46310390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).