3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide

C13H13N3O2 — CID 140677479

IUPAC3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
SMILESCc1c(C(N)=O)nc2n1CCOc1ccccc1-2
InChIInChI=1S/C13H13N3O2/c1-8-11(12(14)17)15-13-9-4-2-3-5-10(9)18-7-6-16(8)13/h2-5H,6-7H2,1H3,(H2,14,17)
InChIKeyVVMIBAIPRGXAOS-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.35
Rot. Bonds1

About 3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide

3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide (PubChem CID 140677479) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
PubChem CID140677479
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
SMILESCc1c(C(N)=O)nc2n1CCOc1ccccc1-2
InChIInChI=1S/C13H13N3O2/c1-8-11(12(14)17)15-13-9-4-2-3-5-10(9)18-7-6-16(8)13/h2-5H,6-7H2,1H3,(H2,14,17)
InChIKeyVVMIBAIPRGXAOS-UHFFFAOYSA-N
XLogP1.35
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
CID 141378464
9-fluoro-10-(3-hydroxy-3-methylbut-1-ynyl)-3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
CID 71714613
10-bromo-3-iodo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
CID 86693191
3-bromo-9-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
CID 141378448
3-cyclopropyl-10-(3-hydroxy-3-methylbut-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
CID 123487565
10-bromo-2-carbamoyl-9-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-3-carboxylic acid
CID 86693165
3-(benzimidazol-1-ylmethyl)-10-bromo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
CID 86693286
3-[(4-acetylpiperazin-1-yl)methyl]-10-(3-hydroxy-3-methylbut-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
CID 86693266
5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzoxazepine
CID 89314794
10-[3-(fluoromethyl)-3-methoxypent-1-ynyl]-3-N-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide
CID 123864560
2-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
CID 141378484
10-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]-3-[(2-methylbenzimidazol-1-yl)methyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
CID 123823504

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide?
The IUPAC name of 3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide (CID 140677479) is 3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide.
What is the SMILES notation for 3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide?
The canonical SMILES for 3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide is Cc1c(C(N)=O)nc2n1CCOc1ccccc1-2.
What is the InChIKey of 3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide?
The InChIKey is VVMIBAIPRGXAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-11(12(14)17)15-13-9-4-2-3-5-10(9)18-7-6-16(8)13/h2-5H,6-7H2,1H3,(H2,14,17).
What are the key properties of 3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide?
3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide is sourced from PubChem (CID 140677479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).