2-amino-5-[(Z)-(6-bromoindol-3-ylidene)methyl]-3-methylimidazol-4-ol

C13H11BrN4O — CID 135474338

IUPAC2-amino-5-[(Z)-(6-bromoindol-3-ylidene)methyl]-3-methylimidazol-4-ol
SMILESCn1c(N)nc(/C=C2\C=Nc3cc(Br)ccc32)c1O
InChIInChI=1S/C13H11BrN4O/c1-18-12(19)11(17-13(18)15)4-7-6-16-10-5-8(14)2-3-9(7)10/h2-6,19H,1H3,(H2,15,17)/b7-4+
InChIKeyWYVZWXOQVOQZAQ-QPJJXVBHSA-N
MW319.16 g/mol
LogP2.73
Rot. Bonds1

About 2-amino-5-[(Z)-(6-bromoindol-3-ylidene)methyl]-3-methylimidazol-4-ol

2-amino-5-[(Z)-(6-bromoindol-3-ylidene)methyl]-3-methylimidazol-4-ol (PubChem CID 135474338) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 2-amino-5-[(Z)-(6-bromoindol-3-ylidene)methyl]-3-methylimidazol-4-ol.

Molecular Properties

Compound Name2-amino-5-[(Z)-(6-bromoindol-3-ylidene)methyl]-3-methylimidazol-4-ol
PubChem CID135474338
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name2-amino-5-[(Z)-(6-bromoindol-3-ylidene)methyl]-3-methylimidazol-4-ol
SMILESCn1c(N)nc(/C=C2\C=Nc3cc(Br)ccc32)c1O
InChIInChI=1S/C13H11BrN4O/c1-18-12(19)11(17-13(18)15)4-7-6-16-10-5-8(14)2-3-9(7)10/h2-6,19H,1H3,(H2,15,17)/b7-4+
InChIKeyWYVZWXOQVOQZAQ-QPJJXVBHSA-N
XLogP2.73
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(Z)-(6-bromoindol-3-ylidene)methyl]-3-methylimidazol-4-ol?
The IUPAC name of 2-amino-5-[(Z)-(6-bromoindol-3-ylidene)methyl]-3-methylimidazol-4-ol (CID 135474338) is 2-amino-5-[(Z)-(6-bromoindol-3-ylidene)methyl]-3-methylimidazol-4-ol.
What is the SMILES notation for 2-amino-5-[(Z)-(6-bromoindol-3-ylidene)methyl]-3-methylimidazol-4-ol?
The canonical SMILES for 2-amino-5-[(Z)-(6-bromoindol-3-ylidene)methyl]-3-methylimidazol-4-ol is Cn1c(N)nc(/C=C2\C=Nc3cc(Br)ccc32)c1O.
What is the InChIKey of 2-amino-5-[(Z)-(6-bromoindol-3-ylidene)methyl]-3-methylimidazol-4-ol?
The InChIKey is WYVZWXOQVOQZAQ-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-18-12(19)11(17-13(18)15)4-7-6-16-10-5-8(14)2-3-9(7)10/h2-6,19H,1H3,(H2,15,17)/b7-4+.
What are the key properties of 2-amino-5-[(Z)-(6-bromoindol-3-ylidene)methyl]-3-methylimidazol-4-ol?
2-amino-5-[(Z)-(6-bromoindol-3-ylidene)methyl]-3-methylimidazol-4-ol has a molecular weight of 319.16 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(Z)-(6-bromoindol-3-ylidene)methyl]-3-methylimidazol-4-ol is sourced from PubChem (CID 135474338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).