4-[3-[(E)-hydroxyiminomethyl]-2-(3-methylimidazol-4-yl)indol-1-yl]phenol

C19H16N4O2 — CID 87343604

IUPAC4-[3-[(E)-hydroxyiminomethyl]-2-(3-methylimidazol-4-yl)indol-1-yl]phenol
SMILESCn1cncc1-c1c(/C=N/O)c2ccccc2n1-c1ccc(O)cc1
InChIInChI=1S/C19H16N4O2/c1-22-12-20-11-18(22)19-16(10-21-25)15-4-2-3-5-17(15)23(19)13-6-8-14(24)9-7-13/h2-12,24-25H,1H3/b21-10+
InChIKeyRQLTXMFPERIXDA-UFFVCSGVSA-N
MW332.36 g/mol
LogP3.54
Rot. Bonds3

About 4-[3-[(E)-hydroxyiminomethyl]-2-(3-methylimidazol-4-yl)indol-1-yl]phenol

4-[3-[(E)-hydroxyiminomethyl]-2-(3-methylimidazol-4-yl)indol-1-yl]phenol (PubChem CID 87343604) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[3-[(E)-hydroxyiminomethyl]-2-(3-methylimidazol-4-yl)indol-1-yl]phenol.

Molecular Properties

Compound Name4-[3-[(E)-hydroxyiminomethyl]-2-(3-methylimidazol-4-yl)indol-1-yl]phenol
PubChem CID87343604
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name4-[3-[(E)-hydroxyiminomethyl]-2-(3-methylimidazol-4-yl)indol-1-yl]phenol
SMILESCn1cncc1-c1c(/C=N/O)c2ccccc2n1-c1ccc(O)cc1
InChIInChI=1S/C19H16N4O2/c1-22-12-20-11-18(22)19-16(10-21-25)15-4-2-3-5-17(15)23(19)13-6-8-14(24)9-7-13/h2-12,24-25H,1H3/b21-10+
InChIKeyRQLTXMFPERIXDA-UFFVCSGVSA-N
XLogP3.54
TPSA75.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol
CID 87343577
4-[2-(1-ethylpyrrol-2-yl)-3-(hydroxyiminomethyl)indol-1-yl]phenol
CID 173065292
4-[2-[bis(ethenyl)amino]-3-(hydroxyiminomethyl)indol-1-yl]phenol
CID 143959197
1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde
CID 87772568
3-fluoro-4-[3-[(E)-hydroxyiminomethyl]-2-(1,3,5-trimethylpyrazol-4-yl)indol-1-yl]phenol
CID 87343705
4-[5-fluoro-3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol
CID 87343401
N-[(2-methylindazol-3-yl)methylidene]hydroxylamine
CID 827989
3-hydroxy-4-[(3-methylimidazol-4-yl)methyliminomethyl]-2-(4-methylphenyl)isoquinolin-1-one
CID 166213815
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
N-[(1,2-diphenylindol-3-yl)methylideneamino]-N-methylmethanamine
CID 2319936
(1Z)-1-(4-carbazol-9-ylphenyl)-1-hydroxyiminopropan-2-one
CID 50936669
N-(acridin-9-ylmethylidene)hydroxylamine
CID 173111257

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(E)-hydroxyiminomethyl]-2-(3-methylimidazol-4-yl)indol-1-yl]phenol?
The IUPAC name of 4-[3-[(E)-hydroxyiminomethyl]-2-(3-methylimidazol-4-yl)indol-1-yl]phenol (CID 87343604) is 4-[3-[(E)-hydroxyiminomethyl]-2-(3-methylimidazol-4-yl)indol-1-yl]phenol.
What is the SMILES notation for 4-[3-[(E)-hydroxyiminomethyl]-2-(3-methylimidazol-4-yl)indol-1-yl]phenol?
The canonical SMILES for 4-[3-[(E)-hydroxyiminomethyl]-2-(3-methylimidazol-4-yl)indol-1-yl]phenol is Cn1cncc1-c1c(/C=N/O)c2ccccc2n1-c1ccc(O)cc1.
What is the InChIKey of 4-[3-[(E)-hydroxyiminomethyl]-2-(3-methylimidazol-4-yl)indol-1-yl]phenol?
The InChIKey is RQLTXMFPERIXDA-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-22-12-20-11-18(22)19-16(10-21-25)15-4-2-3-5-17(15)23(19)13-6-8-14(24)9-7-13/h2-12,24-25H,1H3/b21-10+.
What are the key properties of 4-[3-[(E)-hydroxyiminomethyl]-2-(3-methylimidazol-4-yl)indol-1-yl]phenol?
4-[3-[(E)-hydroxyiminomethyl]-2-(3-methylimidazol-4-yl)indol-1-yl]phenol has a molecular weight of 332.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(E)-hydroxyiminomethyl]-2-(3-methylimidazol-4-yl)indol-1-yl]phenol is sourced from PubChem (CID 87343604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).