7-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one

C12H13BrN2O2 — CID 117206305

IUPAC7-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(Br)cccc2n1C1CCCOC1
InChIInChI=1S/C12H13BrN2O2/c13-9-4-1-5-10-11(9)14-12(16)15(10)8-3-2-6-17-7-8/h1,4-5,8H,2-3,6-7H2,(H,14,16)
InChIKeyWGNMNAZWBZLZNW-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.44
Rot. Bonds1

About 7-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one

7-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one (PubChem CID 117206305) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 7-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one
PubChem CID117206305
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name7-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(Br)cccc2n1C1CCCOC1
InChIInChI=1S/C12H13BrN2O2/c13-9-4-1-5-10-11(9)14-12(16)15(10)8-3-2-6-17-7-8/h1,4-5,8H,2-3,6-7H2,(H,14,16)
InChIKeyWGNMNAZWBZLZNW-UHFFFAOYSA-N
XLogP2.44
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117206304
7-chloro-3-(oxolan-3-yl)-1H-benzimidazol-2-one
CID 117206130
5-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117207901
4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 155679397
4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117208712
6-chloro-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117207162
tert-butyl 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)azepane-1-carboxylate
CID 155679472
7-bromo-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one
CID 117206368
3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one
CID 117206922
7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one
CID 117206184
3-cyclohexyl-7-methoxy-1H-benzimidazol-2-one
CID 117206936
3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 143661528

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one?
The IUPAC name of 7-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one (CID 117206305) is 7-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 7-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 7-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one is O=c1[nH]c2c(Br)cccc2n1C1CCCOC1.
What is the InChIKey of 7-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one?
The InChIKey is WGNMNAZWBZLZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c13-9-4-1-5-10-11(9)14-12(16)15(10)8-3-2-6-17-7-8/h1,4-5,8H,2-3,6-7H2,(H,14,16).
What are the key properties of 7-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one?
7-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one has a molecular weight of 297.15 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(oxan-3-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117206305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).