5-[(Z)-(6-bromoindol-3-ylidene)methyl]-2-imino-1,3-dimethylimidazol-4-ol

C14H13BrN4O — CID 135433933

IUPAC5-[(Z)-(6-bromoindol-3-ylidene)methyl]-2-imino-1,3-dimethylimidazol-4-ol
SMILES[H]/N=c1\n(C)c(O)c(/C=C2\C=Nc3cc(Br)ccc32)n1C
InChIInChI=1S/C14H13BrN4O/c1-18-12(13(20)19(2)14(18)16)5-8-7-17-11-6-9(15)3-4-10(8)11/h3-7,16,20H,1-2H3/b8-5+,16-14-
InChIKeyRZEXTWCYINCKES-DQUZRBTMSA-N
MW333.19 g/mol
LogP2.57
Rot. Bonds1

About 5-[(Z)-(6-bromoindol-3-ylidene)methyl]-2-imino-1,3-dimethylimidazol-4-ol

5-[(Z)-(6-bromoindol-3-ylidene)methyl]-2-imino-1,3-dimethylimidazol-4-ol (PubChem CID 135433933) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 5-[(Z)-(6-bromoindol-3-ylidene)methyl]-2-imino-1,3-dimethylimidazol-4-ol.

Molecular Properties

Compound Name5-[(Z)-(6-bromoindol-3-ylidene)methyl]-2-imino-1,3-dimethylimidazol-4-ol
PubChem CID135433933
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name5-[(Z)-(6-bromoindol-3-ylidene)methyl]-2-imino-1,3-dimethylimidazol-4-ol
SMILES[H]/N=c1\n(C)c(O)c(/C=C2\C=Nc3cc(Br)ccc32)n1C
InChIInChI=1S/C14H13BrN4O/c1-18-12(13(20)19(2)14(18)16)5-8-7-17-11-6-9(15)3-4-10(8)11/h3-7,16,20H,1-2H3/b8-5+,16-14-
InChIKeyRZEXTWCYINCKES-DQUZRBTMSA-N
XLogP2.57
TPSA66.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(6-bromoindol-3-ylidene)methyl]-2-imino-1,3-dimethylimidazol-4-ol?
The IUPAC name of 5-[(Z)-(6-bromoindol-3-ylidene)methyl]-2-imino-1,3-dimethylimidazol-4-ol (CID 135433933) is 5-[(Z)-(6-bromoindol-3-ylidene)methyl]-2-imino-1,3-dimethylimidazol-4-ol.
What is the SMILES notation for 5-[(Z)-(6-bromoindol-3-ylidene)methyl]-2-imino-1,3-dimethylimidazol-4-ol?
The canonical SMILES for 5-[(Z)-(6-bromoindol-3-ylidene)methyl]-2-imino-1,3-dimethylimidazol-4-ol is [H]/N=c1\n(C)c(O)c(/C=C2\C=Nc3cc(Br)ccc32)n1C.
What is the InChIKey of 5-[(Z)-(6-bromoindol-3-ylidene)methyl]-2-imino-1,3-dimethylimidazol-4-ol?
The InChIKey is RZEXTWCYINCKES-DQUZRBTMSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-18-12(13(20)19(2)14(18)16)5-8-7-17-11-6-9(15)3-4-10(8)11/h3-7,16,20H,1-2H3/b8-5+,16-14-.
What are the key properties of 5-[(Z)-(6-bromoindol-3-ylidene)methyl]-2-imino-1,3-dimethylimidazol-4-ol?
5-[(Z)-(6-bromoindol-3-ylidene)methyl]-2-imino-1,3-dimethylimidazol-4-ol has a molecular weight of 333.19 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(6-bromoindol-3-ylidene)methyl]-2-imino-1,3-dimethylimidazol-4-ol is sourced from PubChem (CID 135433933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).