6-fluoro-3-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-benzimidazol-2-one

C15H19FN2O2 — CID 110491242

IUPAC6-fluoro-3-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(F)ccc2n1CC1(CO)CCCCC1
InChIInChI=1S/C15H19FN2O2/c16-11-4-5-13-12(8-11)17-14(20)18(13)9-15(10-19)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7,9-10H2,(H,17,20)
InChIKeyPXOWUGCYSJZXNB-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.41
Rot. Bonds3

About 6-fluoro-3-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-benzimidazol-2-one

6-fluoro-3-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-benzimidazol-2-one (PubChem CID 110491242) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 6-fluoro-3-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-fluoro-3-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-benzimidazol-2-one
PubChem CID110491242
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name6-fluoro-3-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(F)ccc2n1CC1(CO)CCCCC1
InChIInChI=1S/C15H19FN2O2/c16-11-4-5-13-12(8-11)17-14(20)18(13)9-15(10-19)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7,9-10H2,(H,17,20)
InChIKeyPXOWUGCYSJZXNB-UHFFFAOYSA-N
XLogP2.41
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-benzimidazol-2-one
CID 110491664
4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 172832405
6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one
CID 110491161
3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-fluoro-1H-benzimidazol-2-one
CID 113195404
6-fluoro-3-(thiolan-3-ylmethyl)-1H-benzimidazol-2-one
CID 117207085
3-[4-(dimethylamino)butyl]-6-fluoro-1H-benzimidazol-2-one
CID 110491197
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(1-phenylethyl)acetamide
CID 113195349
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3-methylbutanamide
CID 113092201
3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one
CID 134084615
6-fluoro-3-prop-1-en-2-yl-1H-benzimidazol-2-one
CID 18677024
6-fluoro-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 113195390
N-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195424

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-benzimidazol-2-one?
The IUPAC name of 6-fluoro-3-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-benzimidazol-2-one (CID 110491242) is 6-fluoro-3-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-fluoro-3-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-fluoro-3-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-benzimidazol-2-one is O=c1[nH]c2cc(F)ccc2n1CC1(CO)CCCCC1.
What is the InChIKey of 6-fluoro-3-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-benzimidazol-2-one?
The InChIKey is PXOWUGCYSJZXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-11-4-5-13-12(8-11)17-14(20)18(13)9-15(10-19)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7,9-10H2,(H,17,20).
What are the key properties of 6-fluoro-3-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-benzimidazol-2-one?
6-fluoro-3-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-benzimidazol-2-one has a molecular weight of 278.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 110491242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).