2,2,2-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]ethanamine

C11H12F3N3 — CID 79257984

IUPAC2,2,2-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]ethanamine
SMILESCc1ccc2nc(CNCC(F)(F)F)[nH]c2c1
InChIInChI=1S/C11H12F3N3/c1-7-2-3-8-9(4-7)17-10(16-8)5-15-6-11(12,13)14/h2-4,15H,5-6H2,1H3,(H,16,17)
InChIKeyLDIAXXLCZHKEKY-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.52
Rot. Bonds3

About 2,2,2-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]ethanamine (PubChem CID 79257984) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]ethanamine
PubChem CID79257984
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC Name2,2,2-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]ethanamine
SMILESCc1ccc2nc(CNCC(F)(F)F)[nH]c2c1
InChIInChI=1S/C11H12F3N3/c1-7-2-3-8-9(4-7)17-10(16-8)5-15-6-11(12,13)14/h2-4,15H,5-6H2,1H3,(H,16,17)
InChIKeyLDIAXXLCZHKEKY-UHFFFAOYSA-N
XLogP2.52
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 79258066
4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide
CID 91832737
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 53274257
N',N'-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propane-1,3-diamine
CID 53274322
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 119326371
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701
N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 45040735
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119139524
2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 79257733
2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole
CID 924813
2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-methyl-1H-benzimidazole
CID 7425567

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]ethanamine (CID 79257984) is 2,2,2-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]ethanamine is Cc1ccc2nc(CNCC(F)(F)F)[nH]c2c1.
What is the InChIKey of 2,2,2-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]ethanamine?
The InChIKey is LDIAXXLCZHKEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3/c1-7-2-3-8-9(4-7)17-10(16-8)5-15-6-11(12,13)14/h2-4,15H,5-6H2,1H3,(H,16,17).
What are the key properties of 2,2,2-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]ethanamine has a molecular weight of 243.23 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 79257984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).