1,1,1-trifluoro-3-(6-hydroxy-1H-benzimidazol-2-yl)propan-2-one

C10H7F3N2O2 — CID 81431906

IUPAC1,1,1-trifluoro-3-(6-hydroxy-1H-benzimidazol-2-yl)propan-2-one
SMILESO=C(Cc1nc2ccc(O)cc2[nH]1)C(F)(F)F
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)8(17)4-9-14-6-2-1-5(16)3-7(6)15-9/h1-3,16H,4H2,(H,14,15)
InChIKeyQGMYJYCRTHZMRP-UHFFFAOYSA-N
MW244.17 g/mol
LogP1.94
Rot. Bonds2

About 1,1,1-trifluoro-3-(6-hydroxy-1H-benzimidazol-2-yl)propan-2-one

1,1,1-trifluoro-3-(6-hydroxy-1H-benzimidazol-2-yl)propan-2-one (PubChem CID 81431906) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(6-hydroxy-1H-benzimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(6-hydroxy-1H-benzimidazol-2-yl)propan-2-one
PubChem CID81431906
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name1,1,1-trifluoro-3-(6-hydroxy-1H-benzimidazol-2-yl)propan-2-one
SMILESO=C(Cc1nc2ccc(O)cc2[nH]1)C(F)(F)F
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)8(17)4-9-14-6-2-1-5(16)3-7(6)15-9/h1-3,16H,4H2,(H,14,15)
InChIKeyQGMYJYCRTHZMRP-UHFFFAOYSA-N
XLogP1.94
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-3-(6-hydroxy-1H-benzimidazol-2-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,3,3-trifluoro-2-oxopropyl)-3H-quinazolin-4-one
CID 135509807
2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol
CID 81431671
5-(6-hydroxy-1H-benzimidazol-2-yl)pentanoic acid
CID 81431385
1-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 81432741
2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol
CID 81431285
1,7-bis(6-hydroxy-1H-benzimidazol-2-yl)heptane-1,4,7-trione
CID 19907647
3-(6-hydroxy-1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 141321020
2-[6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-benzimidazol-2-yl]acetamide
CID 177377064
2-(3-methoxy-2-methylpropyl)-3H-benzimidazol-5-ol
CID 81431992
2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol
CID 81431647
2-(6-cyano-1H-benzimidazol-2-yl)acetic acid
CID 22002129
2-(1H-benzimidazol-2-yl)acetate
CID 6955878

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(6-hydroxy-1H-benzimidazol-2-yl)propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-(6-hydroxy-1H-benzimidazol-2-yl)propan-2-one (CID 81431906) is 1,1,1-trifluoro-3-(6-hydroxy-1H-benzimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-(6-hydroxy-1H-benzimidazol-2-yl)propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-(6-hydroxy-1H-benzimidazol-2-yl)propan-2-one is O=C(Cc1nc2ccc(O)cc2[nH]1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(6-hydroxy-1H-benzimidazol-2-yl)propan-2-one?
The InChIKey is QGMYJYCRTHZMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c11-10(12,13)8(17)4-9-14-6-2-1-5(16)3-7(6)15-9/h1-3,16H,4H2,(H,14,15).
What are the key properties of 1,1,1-trifluoro-3-(6-hydroxy-1H-benzimidazol-2-yl)propan-2-one?
1,1,1-trifluoro-3-(6-hydroxy-1H-benzimidazol-2-yl)propan-2-one has a molecular weight of 244.17 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(6-hydroxy-1H-benzimidazol-2-yl)propan-2-one is sourced from PubChem (CID 81431906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).