8-chloro-4-methyl-2-(5-methyl-1H-imidazol-4-yl)-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one

C15H15ClN4O2 — CID 70102877

IUPAC8-chloro-4-methyl-2-(5-methyl-1H-imidazol-4-yl)-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one
SMILESCc1[nH]cnc1N1CC2C(C)Oc3ccc(Cl)cc3N2C1=O
InChIInChI=1S/C15H15ClN4O2/c1-8-14(18-7-17-8)19-6-12-9(2)22-13-4-3-10(16)5-11(13)20(12)15(19)21/h3-5,7,9,12H,6H2,1-2H3,(H,17,18)
InChIKeyVYCVFBNPMXVJKX-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.97
Rot. Bonds1

About 8-chloro-4-methyl-2-(5-methyl-1H-imidazol-4-yl)-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one

8-chloro-4-methyl-2-(5-methyl-1H-imidazol-4-yl)-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one (PubChem CID 70102877) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 8-chloro-4-methyl-2-(5-methyl-1H-imidazol-4-yl)-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one.

Molecular Properties

Compound Name8-chloro-4-methyl-2-(5-methyl-1H-imidazol-4-yl)-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one
PubChem CID70102877
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name8-chloro-4-methyl-2-(5-methyl-1H-imidazol-4-yl)-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one
SMILESCc1[nH]cnc1N1CC2C(C)Oc3ccc(Cl)cc3N2C1=O
InChIInChI=1S/C15H15ClN4O2/c1-8-14(18-7-17-8)19-6-12-9(2)22-13-4-3-10(16)5-11(13)20(12)15(19)21/h3-5,7,9,12H,6H2,1-2H3,(H,17,18)
InChIKeyVYCVFBNPMXVJKX-UHFFFAOYSA-N
XLogP2.97
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-methyl-2-(5-methyl-1H-imidazol-4-yl)-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one?
The IUPAC name of 8-chloro-4-methyl-2-(5-methyl-1H-imidazol-4-yl)-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one (CID 70102877) is 8-chloro-4-methyl-2-(5-methyl-1H-imidazol-4-yl)-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one.
What is the SMILES notation for 8-chloro-4-methyl-2-(5-methyl-1H-imidazol-4-yl)-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one?
The canonical SMILES for 8-chloro-4-methyl-2-(5-methyl-1H-imidazol-4-yl)-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one is Cc1[nH]cnc1N1CC2C(C)Oc3ccc(Cl)cc3N2C1=O.
What is the InChIKey of 8-chloro-4-methyl-2-(5-methyl-1H-imidazol-4-yl)-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one?
The InChIKey is VYCVFBNPMXVJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-8-14(18-7-17-8)19-6-12-9(2)22-13-4-3-10(16)5-11(13)20(12)15(19)21/h3-5,7,9,12H,6H2,1-2H3,(H,17,18).
What are the key properties of 8-chloro-4-methyl-2-(5-methyl-1H-imidazol-4-yl)-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one?
8-chloro-4-methyl-2-(5-methyl-1H-imidazol-4-yl)-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one has a molecular weight of 318.76 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-methyl-2-(5-methyl-1H-imidazol-4-yl)-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one is sourced from PubChem (CID 70102877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).