5-(2-amino-1H-imidazol-5-yl)-7,8-dibromo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-1-one

C11H11Br2N5O — CID 20647864

IUPAC5-(2-amino-1H-imidazol-5-yl)-7,8-dibromo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-1-one
SMILESNc1ncc(C2CCNC(=O)c3cc(Br)c(Br)n32)[nH]1
InChIInChI=1S/C11H11Br2N5O/c12-5-3-8-10(19)15-2-1-7(18(8)9(5)13)6-4-16-11(14)17-6/h3-4,7H,1-2H2,(H,15,19)(H3,14,16,17)
InChIKeyNEVUYHIDKPICBC-UHFFFAOYSA-N
MW389.05 g/mol
LogP2.04
Rot. Bonds1

About 5-(2-amino-1H-imidazol-5-yl)-7,8-dibromo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-1-one

5-(2-amino-1H-imidazol-5-yl)-7,8-dibromo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-1-one (PubChem CID 20647864) has the molecular formula C11H11Br2N5O and a molecular weight of 389.05 g/mol. Its IUPAC name is 5-(2-amino-1H-imidazol-5-yl)-7,8-dibromo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-1-one.

Molecular Properties

Compound Name5-(2-amino-1H-imidazol-5-yl)-7,8-dibromo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-1-one
PubChem CID20647864
Molecular FormulaC11H11Br2N5O
Molecular Weight389.05 g/mol
Exact Mass386.93
IUPAC Name5-(2-amino-1H-imidazol-5-yl)-7,8-dibromo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-1-one
SMILESNc1ncc(C2CCNC(=O)c3cc(Br)c(Br)n32)[nH]1
InChIInChI=1S/C11H11Br2N5O/c12-5-3-8-10(19)15-2-1-7(18(8)9(5)13)6-4-16-11(14)17-6/h3-4,7H,1-2H2,(H,15,19)(H3,14,16,17)
InChIKeyNEVUYHIDKPICBC-UHFFFAOYSA-N
XLogP2.04
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.05
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(2-amino-1H-imidazol-5-yl)-7,8-dibromo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1H-imidazol-5-yl)-7,8-dibromo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-1-one?
The IUPAC name of 5-(2-amino-1H-imidazol-5-yl)-7,8-dibromo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-1-one (CID 20647864) is 5-(2-amino-1H-imidazol-5-yl)-7,8-dibromo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-1-one.
What is the SMILES notation for 5-(2-amino-1H-imidazol-5-yl)-7,8-dibromo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-1-one?
The canonical SMILES for 5-(2-amino-1H-imidazol-5-yl)-7,8-dibromo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-1-one is Nc1ncc(C2CCNC(=O)c3cc(Br)c(Br)n32)[nH]1.
What is the InChIKey of 5-(2-amino-1H-imidazol-5-yl)-7,8-dibromo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-1-one?
The InChIKey is NEVUYHIDKPICBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N5O/c12-5-3-8-10(19)15-2-1-7(18(8)9(5)13)6-4-16-11(14)17-6/h3-4,7H,1-2H2,(H,15,19)(H3,14,16,17).
What are the key properties of 5-(2-amino-1H-imidazol-5-yl)-7,8-dibromo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-1-one?
5-(2-amino-1H-imidazol-5-yl)-7,8-dibromo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-1-one has a molecular weight of 389.05 g/mol, XLogP of 2.04, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1H-imidazol-5-yl)-7,8-dibromo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-1-one is sourced from PubChem (CID 20647864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).