1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one

C16H13BrN2O2 — CID 60708838

IUPAC1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(CC(=O)c2ccccc2Br)c2ccccc21
InChIInChI=1S/C16H13BrN2O2/c1-18-13-8-4-5-9-14(13)19(16(18)21)10-15(20)11-6-2-3-7-12(11)17/h2-9H,10H2,1H3
InChIKeyMBTZBXDYXHHOSM-UHFFFAOYSA-N
MW345.20 g/mol
LogP2.99
Rot. Bonds3

About 1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one

1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one (PubChem CID 60708838) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one
PubChem CID60708838
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(CC(=O)c2ccccc2Br)c2ccccc21
InChIInChI=1S/C16H13BrN2O2/c1-18-13-8-4-5-9-14(13)19(16(18)21)10-15(20)11-6-2-3-7-12(11)17/h2-9H,10H2,1H3
InChIKeyMBTZBXDYXHHOSM-UHFFFAOYSA-N
XLogP2.99
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(2-oxobutyl)benzimidazol-2-one
CID 62041240
N,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 664799
1-(3,3-dimethyl-2-oxobutyl)-3-methylbenzimidazol-2-one
CID 60708777
1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylimidazol-2-one
CID 80581218
methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate
CID 26067711
1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
CID 62928036
N-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide
CID 24603426
1-(2-bromophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 54977317
N-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 32778294
2-[2-(2-bromophenyl)-2-oxoethyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513632
1-[2-(2-bromophenyl)-2-oxoethyl]-3-cyclopropylimidazol-2-one
CID 80581514
1-[2-(2-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80581316

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one (CID 60708838) is 1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one is Cn1c(=O)n(CC(=O)c2ccccc2Br)c2ccccc21.
What is the InChIKey of 1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one?
The InChIKey is MBTZBXDYXHHOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-18-13-8-4-5-9-14(13)19(16(18)21)10-15(20)11-6-2-3-7-12(11)17/h2-9H,10H2,1H3.
What are the key properties of 1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one?
1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one has a molecular weight of 345.20 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 60708838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).