5-bromo-6-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one

C15H12BrFN2O2 — CID 62373415

IUPAC5-bromo-6-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(C(O)c2cc3[nH]c(=O)[nH]c3cc2Br)cc1F
InChIInChI=1S/C15H12BrFN2O2/c1-7-2-3-8(4-11(7)17)14(20)9-5-12-13(6-10(9)16)19-15(21)18-12/h2-6,14,20H,1H3,(H2,18,19,21)
InChIKeyGHMNKWQHHXJHMP-UHFFFAOYSA-N
MW351.18 g/mol
LogP3.15
Rot. Bonds2

About 5-bromo-6-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 62373415) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 5-bromo-6-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID62373415
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name5-bromo-6-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(C(O)c2cc3[nH]c(=O)[nH]c3cc2Br)cc1F
InChIInChI=1S/C15H12BrFN2O2/c1-7-2-3-8(4-11(7)17)14(20)9-5-12-13(6-10(9)16)19-15(21)18-12/h2-6,14,20H,1H3,(H2,18,19,21)
InChIKeyGHMNKWQHHXJHMP-UHFFFAOYSA-N
XLogP3.15
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one (CID 62373415) is 5-bromo-6-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one is Cc1ccc(C(O)c2cc3[nH]c(=O)[nH]c3cc2Br)cc1F.
What is the InChIKey of 5-bromo-6-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is GHMNKWQHHXJHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c1-7-2-3-8(4-11(7)17)14(20)9-5-12-13(6-10(9)16)19-15(21)18-12/h2-6,14,20H,1H3,(H2,18,19,21).
What are the key properties of 5-bromo-6-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 351.18 g/mol, XLogP of 3.15, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62373415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).