4-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-2,3-dibromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one

C11H11Br2N5O2 — CID 11004006

IUPAC4-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-2,3-dibromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one
SMILESNC1=NC(C2CCNC(=O)c3[nH]c(Br)c(Br)c32)C(=O)N1
InChIInChI=1S/C11H11Br2N5O2/c12-5-4-3(6-10(20)18-11(14)17-6)1-2-15-9(19)7(4)16-8(5)13/h3,6,16H,1-2H2,(H,15,19)(H3,14,17,18,20)
InChIKeyHSNOYXPFWVJMOL-UHFFFAOYSA-N
MW405.05 g/mol
LogP0.57
Rot. Bonds1

About 4-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-2,3-dibromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one

4-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-2,3-dibromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one (PubChem CID 11004006) has the molecular formula C11H11Br2N5O2 and a molecular weight of 405.05 g/mol. Its IUPAC name is 4-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-2,3-dibromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one.

Molecular Properties

Compound Name4-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-2,3-dibromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one
PubChem CID11004006
Molecular FormulaC11H11Br2N5O2
Molecular Weight405.05 g/mol
Exact Mass402.93
IUPAC Name4-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-2,3-dibromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one
SMILESNC1=NC(C2CCNC(=O)c3[nH]c(Br)c(Br)c32)C(=O)N1
InChIInChI=1S/C11H11Br2N5O2/c12-5-4-3(6-10(20)18-11(14)17-6)1-2-15-9(19)7(4)16-8(5)13/h3,6,16H,1-2H2,(H,15,19)(H3,14,17,18,20)
InChIKeyHSNOYXPFWVJMOL-UHFFFAOYSA-N
XLogP0.57
TPSA112.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.05
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-2,3-dibromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one with MolForge

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Related Compounds

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CID 46176623
4-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-2-methyl-6,7-dihydro-1H-pyrrolo[2,3-c]azepin-8-one
CID 102158955
2-amino-4,5,7,9-tetrahydro-1H-purine-6,8-dione
CID 57309538
(4Z)-4-(2-amino-5-oxo-1H-imidazol-4-ylidene)-2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one;hydrochloride
CID 155929013
2,3-dibromo-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 174808444
2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one
CID 10154117
6-amino-5,7a-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 76848281
2-amino-8-methyl-4a,8a-dihydro-3H-pteridine-4,7-dione
CID 129144078
N-[[(1S,2R,3R,4S)-2,3-bis(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutyl]methyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 163114092
5-(2-amino-1H-imidazol-5-yl)-7,8-dibromo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-1-one
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3-cyclobutylpyrrolidin-2-one
CID 105428038

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-2,3-dibromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one?
The IUPAC name of 4-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-2,3-dibromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one (CID 11004006) is 4-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-2,3-dibromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one.
What is the SMILES notation for 4-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-2,3-dibromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one?
The canonical SMILES for 4-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-2,3-dibromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one is NC1=NC(C2CCNC(=O)c3[nH]c(Br)c(Br)c32)C(=O)N1.
What is the InChIKey of 4-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-2,3-dibromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one?
The InChIKey is HSNOYXPFWVJMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N5O2/c12-5-4-3(6-10(20)18-11(14)17-6)1-2-15-9(19)7(4)16-8(5)13/h3,6,16H,1-2H2,(H,15,19)(H3,14,17,18,20).
What are the key properties of 4-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-2,3-dibromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one?
4-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-2,3-dibromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one has a molecular weight of 405.05 g/mol, XLogP of 0.57, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-2,3-dibromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one is sourced from PubChem (CID 11004006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).