3-benzyl-6-bromo-1H-benzimidazol-2-one

C14H11BrN2O — CID 10017835

IUPAC3-benzyl-6-bromo-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)ccc2n1Cc1ccccc1
InChIInChI=1S/C14H11BrN2O/c15-11-6-7-13-12(8-11)16-14(18)17(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18)
InChIKeyHUQOWLKILHLFRX-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.14
Rot. Bonds2

About 3-benzyl-6-bromo-1H-benzimidazol-2-one

3-benzyl-6-bromo-1H-benzimidazol-2-one (PubChem CID 10017835) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 3-benzyl-6-bromo-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-benzyl-6-bromo-1H-benzimidazol-2-one
PubChem CID10017835
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name3-benzyl-6-bromo-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)ccc2n1Cc1ccccc1
InChIInChI=1S/C14H11BrN2O/c15-11-6-7-13-12(8-11)16-14(18)17(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18)
InChIKeyHUQOWLKILHLFRX-UHFFFAOYSA-N
XLogP3.14
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Brorphine
CID 145975294
1,3-Dihydro-1-(1,2,3,6-tetrahydro-1-(phenylmethyl)-4-pyridinyl)-2H-benzimidazol-2-one
CID 96482
1-(3-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 3498030
1-(4-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 3713930
1-(2-bromophenyl)-3-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]urea
CID 10199387
1-(2-bromophenyl)-3-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]urea
CID 10126139
1-(2-bromophenyl)-3-[2-(4-fluoro-2,3-dihydro-1H-indol-1-yl)ethyl]urea
CID 10215835
1-(2-bromophenyl)-3-[2-(5-fluoro-2,3-dihydro-1H-indol-1-yl)ethyl]urea
CID 10237325
1-(2-bromophenyl)-3-[(3S)-1-(3-methylphenyl)pyrrolidin-3-yl]urea
CID 10292768
1-(4-bromobenzyl)-3-methyl-1,3-dihydro-2H-benzimidazol-2-one
CID 797061
(+)-(S)-8-Bromo-1,2,4,5,6,7-hexahydro-5-methyl-6-(3-methyl-2-butenyl)-2-oxoimidazol[4,51-jk][1,4]benzodiazepine
CID 460855
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 137517537

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-bromo-1H-benzimidazol-2-one?
The IUPAC name of 3-benzyl-6-bromo-1H-benzimidazol-2-one (CID 10017835) is 3-benzyl-6-bromo-1H-benzimidazol-2-one.
What is the SMILES notation for 3-benzyl-6-bromo-1H-benzimidazol-2-one?
The canonical SMILES for 3-benzyl-6-bromo-1H-benzimidazol-2-one is O=c1[nH]c2cc(Br)ccc2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-bromo-1H-benzimidazol-2-one?
The InChIKey is HUQOWLKILHLFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-11-6-7-13-12(8-11)16-14(18)17(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18).
What are the key properties of 3-benzyl-6-bromo-1H-benzimidazol-2-one?
3-benzyl-6-bromo-1H-benzimidazol-2-one has a molecular weight of 303.16 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-bromo-1H-benzimidazol-2-one is sourced from PubChem (CID 10017835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).