[5-fluoro-1-(2-methylprop-2-enyl)benzimidazol-2-yl]methanol

C12H13FN2O — CID 82332366

IUPAC[5-fluoro-1-(2-methylprop-2-enyl)benzimidazol-2-yl]methanol
SMILESC=C(C)Cn1c(CO)nc2cc(F)ccc21
InChIInChI=1S/C12H13FN2O/c1-8(2)6-15-11-4-3-9(13)5-10(11)14-12(15)7-16/h3-5,16H,1,6-7H2,2H3
InChIKeySPQDYYZVYHOFTH-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.24
Rot. Bonds3

About [5-fluoro-1-(2-methylprop-2-enyl)benzimidazol-2-yl]methanol

[5-fluoro-1-(2-methylprop-2-enyl)benzimidazol-2-yl]methanol (PubChem CID 82332366) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is [5-fluoro-1-(2-methylprop-2-enyl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-fluoro-1-(2-methylprop-2-enyl)benzimidazol-2-yl]methanol
PubChem CID82332366
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name[5-fluoro-1-(2-methylprop-2-enyl)benzimidazol-2-yl]methanol
SMILESC=C(C)Cn1c(CO)nc2cc(F)ccc21
InChIInChI=1S/C12H13FN2O/c1-8(2)6-15-11-4-3-9(13)5-10(11)14-12(15)7-16/h3-5,16H,1,6-7H2,2H3
InChIKeySPQDYYZVYHOFTH-UHFFFAOYSA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [5-fluoro-1-(2-methylprop-2-enyl)benzimidazol-2-yl]methanol 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

(1-ethyl-5-fluorobenzimidazol-2-yl)methanol
CID 63756217
[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334164
[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methanol
CID 90307140
2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N,N-diethylacetamide
CID 82332381
2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-methylacetamide
CID 43661029
3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol
CID 82334844
2-(chloromethyl)-1-(2-methylprop-2-enyl)-5-propan-2-yloxybenzimidazole
CID 82335383
3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 82332280
2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol
CID 82332433
4-fluoro-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide
CID 4085689
N-methyl-2-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82334068
[5-amino-1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methanol
CID 62594326

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-1-(2-methylprop-2-enyl)benzimidazol-2-yl]methanol?
The IUPAC name of [5-fluoro-1-(2-methylprop-2-enyl)benzimidazol-2-yl]methanol (CID 82332366) is [5-fluoro-1-(2-methylprop-2-enyl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [5-fluoro-1-(2-methylprop-2-enyl)benzimidazol-2-yl]methanol?
The canonical SMILES for [5-fluoro-1-(2-methylprop-2-enyl)benzimidazol-2-yl]methanol is C=C(C)Cn1c(CO)nc2cc(F)ccc21.
What is the InChIKey of [5-fluoro-1-(2-methylprop-2-enyl)benzimidazol-2-yl]methanol?
The InChIKey is SPQDYYZVYHOFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-8(2)6-15-11-4-3-9(13)5-10(11)14-12(15)7-16/h3-5,16H,1,6-7H2,2H3.
What are the key properties of [5-fluoro-1-(2-methylprop-2-enyl)benzimidazol-2-yl]methanol?
[5-fluoro-1-(2-methylprop-2-enyl)benzimidazol-2-yl]methanol has a molecular weight of 220.25 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-1-(2-methylprop-2-enyl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 82332366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).