2-[5-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanol

C16H22FN3O — CID 82311641

IUPAC2-[5-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanol
SMILESCC1CCN(Cc2nc3cc(F)ccc3n2CCO)CC1
InChIInChI=1S/C16H22FN3O/c1-12-4-6-19(7-5-12)11-16-18-14-10-13(17)2-3-15(14)20(16)8-9-21/h2-3,10,12,21H,4-9,11H2,1H3
InChIKeyMNCUOQNXNKVVOM-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.40
Rot. Bonds4

About 2-[5-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanol

2-[5-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanol (PubChem CID 82311641) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-[5-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanol
PubChem CID82311641
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name2-[5-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanol
SMILESCC1CCN(Cc2nc3cc(F)ccc3n2CCO)CC1
InChIInChI=1S/C16H22FN3O/c1-12-4-6-19(7-5-12)11-16-18-14-10-13(17)2-3-15(14)20(16)8-9-21/h2-3,10,12,21H,4-9,11H2,1H3
InChIKeyMNCUOQNXNKVVOM-UHFFFAOYSA-N
XLogP2.40
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82310602
2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol
CID 82332433
2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311696
2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole
CID 6491176
2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311687
2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanethioamide
CID 82311919
2-[5-fluoro-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311161
3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 82332280
3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
CID 82311837
2-(1,4-diazepan-1-ylmethyl)-1-ethyl-5-fluorobenzimidazole;dihydrochloride
CID 119907069
4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 71967888
2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311786

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[5-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanol (CID 82311641) is 2-[5-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[5-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanol is CC1CCN(Cc2nc3cc(F)ccc3n2CCO)CC1.
What is the InChIKey of 2-[5-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanol?
The InChIKey is MNCUOQNXNKVVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-12-4-6-19(7-5-12)11-16-18-14-10-13(17)2-3-15(14)20(16)8-9-21/h2-3,10,12,21H,4-9,11H2,1H3.
What are the key properties of 2-[5-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanol?
2-[5-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanol has a molecular weight of 291.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 82311641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).