5-bromo-6-(3-chloro-2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one

C15H10BrClN2O2 — CID 107096175

IUPAC5-bromo-6-(3-chloro-2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1c(Cl)cccc1C(=O)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C15H10BrClN2O2/c1-7-8(3-2-4-11(7)17)14(20)9-5-12-13(6-10(9)16)19-15(21)18-12/h2-6H,1H3,(H2,18,19,21)
InChIKeySXETYNYGFBAFHH-UHFFFAOYSA-N
MW365.61 g/mol
LogP3.81
Rot. Bonds2

About 5-bromo-6-(3-chloro-2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one

5-bromo-6-(3-chloro-2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 107096175) has the molecular formula C15H10BrClN2O2 and a molecular weight of 365.61 g/mol. Its IUPAC name is 5-bromo-6-(3-chloro-2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-(3-chloro-2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID107096175
Molecular FormulaC15H10BrClN2O2
Molecular Weight365.61 g/mol
Exact Mass363.96
IUPAC Name5-bromo-6-(3-chloro-2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1c(Cl)cccc1C(=O)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C15H10BrClN2O2/c1-7-8(3-2-4-11(7)17)14(20)9-5-12-13(6-10(9)16)19-15(21)18-12/h2-6H,1H3,(H2,18,19,21)
InChIKeySXETYNYGFBAFHH-UHFFFAOYSA-N
XLogP3.81
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-(2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 62380081
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096141
(4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 107100346
5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 62381370
(2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 25257909
5-bromo-6-(3-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 62381368
(6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096167
(3-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 146005798
(4-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096238
5-bromo-6-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,3-dihydrobenzimidazol-2-one
CID 66475525
(3-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096206
(3-chloro-2-methylphenyl)-(3,5-dichlorophenyl)methanone
CID 146005790

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(3-chloro-2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-(3-chloro-2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one (CID 107096175) is 5-bromo-6-(3-chloro-2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-(3-chloro-2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-(3-chloro-2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one is Cc1c(Cl)cccc1C(=O)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-bromo-6-(3-chloro-2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is SXETYNYGFBAFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O2/c1-7-8(3-2-4-11(7)17)14(20)9-5-12-13(6-10(9)16)19-15(21)18-12/h2-6H,1H3,(H2,18,19,21).
What are the key properties of 5-bromo-6-(3-chloro-2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-(3-chloro-2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 365.61 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(3-chloro-2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 107096175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).