2-amino-5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1H-imidazol-4-ol

C12H9BrN4O — CID 135464118

IUPAC2-amino-5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1H-imidazol-4-ol
SMILESNc1nc(O)c(/C=C2\C=Nc3ccc(Br)cc32)[nH]1
InChIInChI=1S/C12H9BrN4O/c13-7-1-2-9-8(4-7)6(5-15-9)3-10-11(18)17-12(14)16-10/h1-5,18H,(H3,14,16,17)/b6-3+
InChIKeyPNDKVCGHGFDDSR-ZZXKWVIFSA-N
MW305.14 g/mol
LogP2.72
Rot. Bonds1

About 2-amino-5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1H-imidazol-4-ol

2-amino-5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1H-imidazol-4-ol (PubChem CID 135464118) has the molecular formula C12H9BrN4O and a molecular weight of 305.14 g/mol. Its IUPAC name is 2-amino-5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1H-imidazol-4-ol.

Molecular Properties

Compound Name2-amino-5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1H-imidazol-4-ol
PubChem CID135464118
Molecular FormulaC12H9BrN4O
Molecular Weight305.14 g/mol
Exact Mass304.00
IUPAC Name2-amino-5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1H-imidazol-4-ol
SMILESNc1nc(O)c(/C=C2\C=Nc3ccc(Br)cc32)[nH]1
InChIInChI=1S/C12H9BrN4O/c13-7-1-2-9-8(4-7)6(5-15-9)3-10-11(18)17-12(14)16-10/h1-5,18H,(H3,14,16,17)/b6-3+
InChIKeyPNDKVCGHGFDDSR-ZZXKWVIFSA-N
XLogP2.72
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1H-imidazol-4-ol 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 2-amino-5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1H-imidazol-4-ol?
The IUPAC name of 2-amino-5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1H-imidazol-4-ol (CID 135464118) is 2-amino-5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1H-imidazol-4-ol.
What is the SMILES notation for 2-amino-5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1H-imidazol-4-ol?
The canonical SMILES for 2-amino-5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1H-imidazol-4-ol is Nc1nc(O)c(/C=C2\C=Nc3ccc(Br)cc32)[nH]1.
What is the InChIKey of 2-amino-5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1H-imidazol-4-ol?
The InChIKey is PNDKVCGHGFDDSR-ZZXKWVIFSA-N. The full InChI is InChI=1S/C12H9BrN4O/c13-7-1-2-9-8(4-7)6(5-15-9)3-10-11(18)17-12(14)16-10/h1-5,18H,(H3,14,16,17)/b6-3+.
What are the key properties of 2-amino-5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1H-imidazol-4-ol?
2-amino-5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1H-imidazol-4-ol has a molecular weight of 305.14 g/mol, XLogP of 2.72, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(Z)-(5-bromoindol-3-ylidene)methyl]-1H-imidazol-4-ol is sourced from PubChem (CID 135464118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).