6-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-3-ethyl-1,3-benzoxazol-2-one

C17H17N5O2 — CID 155506882

IUPAC6-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-3-ethyl-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(-n3ccnc3-c3cn(C)c(C)n3)ccc21
InChIInChI=1S/C17H17N5O2/c1-4-21-14-6-5-12(9-15(14)24-17(21)23)22-8-7-18-16(22)13-10-20(3)11(2)19-13/h5-10H,4H2,1-3H3
InChIKeyOLJVTNBRUZLFMG-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.51
Rot. Bonds3

About 6-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-3-ethyl-1,3-benzoxazol-2-one

6-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-3-ethyl-1,3-benzoxazol-2-one (PubChem CID 155506882) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 6-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-3-ethyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-3-ethyl-1,3-benzoxazol-2-one
PubChem CID155506882
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name6-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-3-ethyl-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(-n3ccnc3-c3cn(C)c(C)n3)ccc21
InChIInChI=1S/C17H17N5O2/c1-4-21-14-6-5-12(9-15(14)24-17(21)23)22-8-7-18-16(22)13-10-20(3)11(2)19-13/h5-10H,4H2,1-3H3
InChIKeyOLJVTNBRUZLFMG-UHFFFAOYSA-N
XLogP2.51
TPSA70.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-3-ethyl-1,3-benzoxazol-2-one with MolForge

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Related Compounds

3-methyl-6-[2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]imidazol-1-yl]-1,3-benzoxazol-2-one
CID 70738523
3-ethyl-6-sulfanyl-1,3-benzoxazol-2-one
CID 62299879
6-(1-bromopropyl)-3-ethyl-1,3-benzoxazol-2-one
CID 62299352
2-[6-[5-(2-methylimidazol-1-yl)-3-pyridinyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid
CID 167944833
1-[3-(2-ethylimidazol-1-yl)propyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 74239820
1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 72922302
3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63839677
3-ethyl-6-(2-methylpropanoyl)-1,3-benzoxazol-2-one
CID 62298450
3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 71691359
6-(1-bromo-2,2-dimethylbutyl)-3-ethyl-1,3-benzoxazol-2-one
CID 62679611
6-(1-amino-2,2-dimethylbutyl)-3-ethyl-1,3-benzoxazol-2-one
CID 62677655
6-(1-bromohexyl)-3-ethyl-1,3-benzoxazol-2-one
CID 55197474

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-3-ethyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-3-ethyl-1,3-benzoxazol-2-one (CID 155506882) is 6-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-3-ethyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-3-ethyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-3-ethyl-1,3-benzoxazol-2-one is CCn1c(=O)oc2cc(-n3ccnc3-c3cn(C)c(C)n3)ccc21.
What is the InChIKey of 6-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-3-ethyl-1,3-benzoxazol-2-one?
The InChIKey is OLJVTNBRUZLFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-4-21-14-6-5-12(9-15(14)24-17(21)23)22-8-7-18-16(22)13-10-20(3)11(2)19-13/h5-10H,4H2,1-3H3.
What are the key properties of 6-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-3-ethyl-1,3-benzoxazol-2-one?
6-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-3-ethyl-1,3-benzoxazol-2-one has a molecular weight of 323.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-3-ethyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 155506882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).