5,8,8-trimethyl-2-pyridin-4-yl-1H-imidazo[4,5-g][3,1]benzoxazin-6-one

C17H16N4O2 — CID 57270015

IUPAC5,8,8-trimethyl-2-pyridin-4-yl-1H-imidazo[4,5-g][3,1]benzoxazin-6-one
SMILESCN1C(=O)OC(C)(C)c2cc3[nH]c(-c4ccncc4)nc3cc21
InChIInChI=1S/C17H16N4O2/c1-17(2)11-8-12-13(9-14(11)21(3)16(22)23-17)20-15(19-12)10-4-6-18-7-5-10/h4-9H,1-3H3,(H,19,20)
InChIKeyMCAZUVMHMJQGIT-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.45
Rot. Bonds1

About 5,8,8-trimethyl-2-pyridin-4-yl-1H-imidazo[4,5-g][3,1]benzoxazin-6-one

5,8,8-trimethyl-2-pyridin-4-yl-1H-imidazo[4,5-g][3,1]benzoxazin-6-one (PubChem CID 57270015) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5,8,8-trimethyl-2-pyridin-4-yl-1H-imidazo[4,5-g][3,1]benzoxazin-6-one.

Molecular Properties

Compound Name5,8,8-trimethyl-2-pyridin-4-yl-1H-imidazo[4,5-g][3,1]benzoxazin-6-one
PubChem CID57270015
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name5,8,8-trimethyl-2-pyridin-4-yl-1H-imidazo[4,5-g][3,1]benzoxazin-6-one
SMILESCN1C(=O)OC(C)(C)c2cc3[nH]c(-c4ccncc4)nc3cc21
InChIInChI=1S/C17H16N4O2/c1-17(2)11-8-12-13(9-14(11)21(3)16(22)23-17)20-15(19-12)10-4-6-18-7-5-10/h4-9H,1-3H3,(H,19,20)
InChIKeyMCAZUVMHMJQGIT-UHFFFAOYSA-N
XLogP3.45
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7,7-dimethyl-2-pyridin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;tetrahydrate
CID 22162173
5,7,7-trimethyl-2-pyrazin-2-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 70421075
7,7-dimethyl-2-pyridin-4-yl-5,8-dihydro-1H-imidazo[4,5-g]quinolin-6-one
CID 14209944
6-methyl-5-(2-methylimidazol-1-yl)-2-pyridin-4-yl-1H-benzimidazole
CID 10039811
5-butyl-7,7-dimethyl-2-pyridin-3-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 70421400
2-(2-chloro-4-pyridinyl)-5-ethyl-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 59300807
5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 70422642
1,3,3-trimethyl-6-(2-pyridin-4-yl-1H-imidazol-5-yl)indol-2-one
CID 118526116
2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid
CID 2771800
5-(cyclopropylmethyl)-2-(4-methoxyphenyl)-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 59300921
5-ethyl-7,7-dimethyl-2-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135425336
7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile
CID 22162187

Frequently Asked Questions

What is the IUPAC name of 5,8,8-trimethyl-2-pyridin-4-yl-1H-imidazo[4,5-g][3,1]benzoxazin-6-one?
The IUPAC name of 5,8,8-trimethyl-2-pyridin-4-yl-1H-imidazo[4,5-g][3,1]benzoxazin-6-one (CID 57270015) is 5,8,8-trimethyl-2-pyridin-4-yl-1H-imidazo[4,5-g][3,1]benzoxazin-6-one.
What is the SMILES notation for 5,8,8-trimethyl-2-pyridin-4-yl-1H-imidazo[4,5-g][3,1]benzoxazin-6-one?
The canonical SMILES for 5,8,8-trimethyl-2-pyridin-4-yl-1H-imidazo[4,5-g][3,1]benzoxazin-6-one is CN1C(=O)OC(C)(C)c2cc3[nH]c(-c4ccncc4)nc3cc21.
What is the InChIKey of 5,8,8-trimethyl-2-pyridin-4-yl-1H-imidazo[4,5-g][3,1]benzoxazin-6-one?
The InChIKey is MCAZUVMHMJQGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-17(2)11-8-12-13(9-14(11)21(3)16(22)23-17)20-15(19-12)10-4-6-18-7-5-10/h4-9H,1-3H3,(H,19,20).
What are the key properties of 5,8,8-trimethyl-2-pyridin-4-yl-1H-imidazo[4,5-g][3,1]benzoxazin-6-one?
5,8,8-trimethyl-2-pyridin-4-yl-1H-imidazo[4,5-g][3,1]benzoxazin-6-one has a molecular weight of 308.34 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,8-trimethyl-2-pyridin-4-yl-1H-imidazo[4,5-g][3,1]benzoxazin-6-one is sourced from PubChem (CID 57270015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).