3-(3-bromophenyl)-5-methyl-1H-benzimidazol-2-one

C14H11BrN2O — CID 117208340

IUPAC3-(3-bromophenyl)-5-methyl-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(-c3cccc(Br)c3)c2c1
InChIInChI=1S/C14H11BrN2O/c1-9-5-6-12-13(7-9)17(14(18)16-12)11-4-2-3-10(15)8-11/h2-8H,1H3,(H,16,18)
InChIKeyMVJFVVHYMPLIQY-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.39
Rot. Bonds1

About 3-(3-bromophenyl)-5-methyl-1H-benzimidazol-2-one

3-(3-bromophenyl)-5-methyl-1H-benzimidazol-2-one (PubChem CID 117208340) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 3-(3-bromophenyl)-5-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(3-bromophenyl)-5-methyl-1H-benzimidazol-2-one
PubChem CID117208340
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name3-(3-bromophenyl)-5-methyl-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(-c3cccc(Br)c3)c2c1
InChIInChI=1S/C14H11BrN2O/c1-9-5-6-12-13(7-9)17(14(18)16-12)11-4-2-3-10(15)8-11/h2-8H,1H3,(H,16,18)
InChIKeyMVJFVVHYMPLIQY-UHFFFAOYSA-N
XLogP3.39
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-5-methyl-1H-benzimidazol-2-one?
The IUPAC name of 3-(3-bromophenyl)-5-methyl-1H-benzimidazol-2-one (CID 117208340) is 3-(3-bromophenyl)-5-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(3-bromophenyl)-5-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-(3-bromophenyl)-5-methyl-1H-benzimidazol-2-one is Cc1ccc2[nH]c(=O)n(-c3cccc(Br)c3)c2c1.
What is the InChIKey of 3-(3-bromophenyl)-5-methyl-1H-benzimidazol-2-one?
The InChIKey is MVJFVVHYMPLIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c1-9-5-6-12-13(7-9)17(14(18)16-12)11-4-2-3-10(15)8-11/h2-8H,1H3,(H,16,18).
What are the key properties of 3-(3-bromophenyl)-5-methyl-1H-benzimidazol-2-one?
3-(3-bromophenyl)-5-methyl-1H-benzimidazol-2-one has a molecular weight of 303.16 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-5-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 117208340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).