5-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one

C15H13FN2O2 — CID 61086954

IUPAC5-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(C(O)c2ccc3[nH]c(=O)[nH]c3c2)cc1F
InChIInChI=1S/C15H13FN2O2/c1-8-2-3-9(6-11(8)16)14(19)10-4-5-12-13(7-10)18-15(20)17-12/h2-7,14,19H,1H3,(H2,17,18,20)
InChIKeyOQEMPCNRWCKPMD-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.39
Rot. Bonds2

About 5-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one

5-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 61086954) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 5-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID61086954
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name5-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(C(O)c2ccc3[nH]c(=O)[nH]c3c2)cc1F
InChIInChI=1S/C15H13FN2O2/c1-8-2-3-9(6-11(8)16)14(19)10-4-5-12-13(7-10)18-15(20)17-12/h2-7,14,19H,1H3,(H2,17,18,20)
InChIKeyOQEMPCNRWCKPMD-UHFFFAOYSA-N
XLogP2.39
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61088445
(3-fluoro-4-methylphenyl)-(1H-indol-5-yl)methanol
CID 81444351
5-[(2-bromo-3-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 107983320
5-[(3-chloro-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 103404288
5-(2,2-difluoro-1-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 104632705
5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483555
5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 63048076
(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130625
(3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol
CID 62490525
(3-fluoro-4-methylphenyl)-(4-methoxyphenyl)methanol
CID 60798694
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 9453257

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one (CID 61086954) is 5-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one is Cc1ccc(C(O)c2ccc3[nH]c(=O)[nH]c3c2)cc1F.
What is the InChIKey of 5-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is OQEMPCNRWCKPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-8-2-3-9(6-11(8)16)14(19)10-4-5-12-13(7-10)18-15(20)17-12/h2-7,14,19H,1H3,(H2,17,18,20).
What are the key properties of 5-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
5-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 272.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 61086954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).