2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine

C10H10F3N3 — CID 116947203

IUPAC2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine
SMILESCc1nc2ccc(C(N)C(F)(F)F)cc2[nH]1
InChIInChI=1S/C10H10F3N3/c1-5-15-7-3-2-6(4-8(7)16-5)9(14)10(11,12)13/h2-4,9H,14H2,1H3,(H,15,16)
InChIKeyOGGIIBFHPBVVLU-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.43
Rot. Bonds1

About 2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine

2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine (PubChem CID 116947203) has the molecular formula C10H10F3N3 and a molecular weight of 229.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine
PubChem CID116947203
Molecular FormulaC10H10F3N3
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine
SMILESCc1nc2ccc(C(N)C(F)(F)F)cc2[nH]1
InChIInChI=1S/C10H10F3N3/c1-5-15-7-3-2-6(4-8(7)16-5)9(14)10(11,12)13/h2-4,9H,14H2,1H3,(H,15,16)
InChIKeyOGGIIBFHPBVVLU-UHFFFAOYSA-N
XLogP2.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine
CID 82491804
hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116947494
3-amino-3-(2-methyl-3H-benzimidazol-5-yl)propane-1-thiol
CID 116831290
4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline
CID 116936897
methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol
CID 116954709
1-(2-methyl-3H-benzimidazol-5-yl)propane-1,2,3-triol
CID 170818053
1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carbonitrile
CID 116942996
3,4-diamino-4-(2-methyl-3H-benzimidazol-5-yl)butanoic acid
CID 116942840
[1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116943582
3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 116850693
2-methyl-6-(1-piperazin-1-ylethyl)-1H-benzimidazole
CID 82497698

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine (CID 116947203) is 2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine is Cc1nc2ccc(C(N)C(F)(F)F)cc2[nH]1.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine?
The InChIKey is OGGIIBFHPBVVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c1-5-15-7-3-2-6(4-8(7)16-5)9(14)10(11,12)13/h2-4,9H,14H2,1H3,(H,15,16).
What are the key properties of 2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine?
2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine has a molecular weight of 229.21 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine is sourced from PubChem (CID 116947203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).