7-(4,5-dihydro-1H-imidazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinoxalin-2-one

C13H17N5O — CID 67832071

IUPAC7-(4,5-dihydro-1H-imidazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinoxalin-2-one
SMILESCC1(C)Nc2ccc(NC3=NCCN3)cc2NC1=O
InChIInChI=1S/C13H17N5O/c1-13(2)11(19)17-10-7-8(3-4-9(10)18-13)16-12-14-5-6-15-12/h3-4,7,18H,5-6H2,1-2H3,(H,17,19)(H2,14,15,16)
InChIKeyBYLRDHQMBXIXJN-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.20
Rot. Bonds1

About 7-(4,5-dihydro-1H-imidazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinoxalin-2-one

7-(4,5-dihydro-1H-imidazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinoxalin-2-one (PubChem CID 67832071) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 7-(4,5-dihydro-1H-imidazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-(4,5-dihydro-1H-imidazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinoxalin-2-one
PubChem CID67832071
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name7-(4,5-dihydro-1H-imidazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinoxalin-2-one
SMILESCC1(C)Nc2ccc(NC3=NCCN3)cc2NC1=O
InChIInChI=1S/C13H17N5O/c1-13(2)11(19)17-10-7-8(3-4-9(10)18-13)16-12-14-5-6-15-12/h3-4,7,18H,5-6H2,1-2H3,(H,17,19)(H2,14,15,16)
InChIKeyBYLRDHQMBXIXJN-UHFFFAOYSA-N
XLogP1.20
TPSA77.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4,5-dihydro-1H-imidazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinoxalin-2-one?
The IUPAC name of 7-(4,5-dihydro-1H-imidazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinoxalin-2-one (CID 67832071) is 7-(4,5-dihydro-1H-imidazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-(4,5-dihydro-1H-imidazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinoxalin-2-one?
The canonical SMILES for 7-(4,5-dihydro-1H-imidazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinoxalin-2-one is CC1(C)Nc2ccc(NC3=NCCN3)cc2NC1=O.
What is the InChIKey of 7-(4,5-dihydro-1H-imidazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinoxalin-2-one?
The InChIKey is BYLRDHQMBXIXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-13(2)11(19)17-10-7-8(3-4-9(10)18-13)16-12-14-5-6-15-12/h3-4,7,18H,5-6H2,1-2H3,(H,17,19)(H2,14,15,16).
What are the key properties of 7-(4,5-dihydro-1H-imidazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinoxalin-2-one?
7-(4,5-dihydro-1H-imidazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinoxalin-2-one has a molecular weight of 259.31 g/mol, XLogP of 1.20, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,5-dihydro-1H-imidazol-2-ylamino)-3,3-dimethyl-1,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 67832071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).