3-[(4-bromo-3-methylphenyl)iminomethyl]-5-chloro-1H-indol-2-ol

C16H12BrClN2O — CID 136996261

IUPAC3-[(4-bromo-3-methylphenyl)iminomethyl]-5-chloro-1H-indol-2-ol
SMILESCc1cc(/N=C/c2c(O)[nH]c3ccc(Cl)cc23)ccc1Br
InChIInChI=1S/C16H12BrClN2O/c1-9-6-11(3-4-14(9)17)19-8-13-12-7-10(18)2-5-15(12)20-16(13)21/h2-8,20-21H,1H3/b19-8+
InChIKeyTYEORPXBKBDNRD-UFWORHAWSA-N
MW363.64 g/mol
LogP5.35
Rot. Bonds2

About 3-[(4-bromo-3-methylphenyl)iminomethyl]-5-chloro-1H-indol-2-ol

3-[(4-bromo-3-methylphenyl)iminomethyl]-5-chloro-1H-indol-2-ol (PubChem CID 136996261) has the molecular formula C16H12BrClN2O and a molecular weight of 363.64 g/mol. Its IUPAC name is 3-[(4-bromo-3-methylphenyl)iminomethyl]-5-chloro-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(4-bromo-3-methylphenyl)iminomethyl]-5-chloro-1H-indol-2-ol
PubChem CID136996261
Molecular FormulaC16H12BrClN2O
Molecular Weight363.64 g/mol
Exact Mass361.98
IUPAC Name3-[(4-bromo-3-methylphenyl)iminomethyl]-5-chloro-1H-indol-2-ol
SMILESCc1cc(/N=C/c2c(O)[nH]c3ccc(Cl)cc23)ccc1Br
InChIInChI=1S/C16H12BrClN2O/c1-9-6-11(3-4-14(9)17)19-8-13-12-7-10(18)2-5-15(12)20-16(13)21/h2-8,20-21H,1H3/b19-8+
InChIKeyTYEORPXBKBDNRD-UFWORHAWSA-N
XLogP5.35
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.64
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol
CID 135988925
(3Z)-3-{[(4-chlorobenzyl)amino]methylene}-1,3-dihydro-2H-indol-2-one
CID 2256113
(2E)-5-bromo-4-chloro-2-{[(3-methylphenyl)amino]methylene}-1,2-dihydro-3H-indol-3-one
CID 135521583
3-[benzimidazol-2-ylidene(phenyl)methyl]-5-bromo-1H-indol-2-ol
CID 136118718
2-bromo-6-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;hydrochloride
CID 168286639
5-bromo-3-[(4-chlorophenyl)diazenyl]-1H-indol-2-ol
CID 135824361
3-[(E)-benzimidazol-5-ylidenemethyl]-4-bromo-1H-indol-2-ol
CID 177375102
(3Z)-3-{[(4-Bromophenyl)amino]methylidene}-2,3-dihydro-1H-indol-2-one
CID 2256151
3-{[(3-methylphenyl)amino]methylene}-1,3-dihydro-2H-indol-2-one
CID 2859773
3-[(3-chlorophenyl)iminomethyl]-1H-indol-2-ol
CID 4080311
5-chloro-3-[(Z)-[2-(4-fluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol
CID 155805098
3-[(3-chloro-4-fluorophenyl)iminomethyl]-1H-indol-2-ol
CID 2256136

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3-methylphenyl)iminomethyl]-5-chloro-1H-indol-2-ol?
The IUPAC name of 3-[(4-bromo-3-methylphenyl)iminomethyl]-5-chloro-1H-indol-2-ol (CID 136996261) is 3-[(4-bromo-3-methylphenyl)iminomethyl]-5-chloro-1H-indol-2-ol.
What is the SMILES notation for 3-[(4-bromo-3-methylphenyl)iminomethyl]-5-chloro-1H-indol-2-ol?
The canonical SMILES for 3-[(4-bromo-3-methylphenyl)iminomethyl]-5-chloro-1H-indol-2-ol is Cc1cc(/N=C/c2c(O)[nH]c3ccc(Cl)cc23)ccc1Br.
What is the InChIKey of 3-[(4-bromo-3-methylphenyl)iminomethyl]-5-chloro-1H-indol-2-ol?
The InChIKey is TYEORPXBKBDNRD-UFWORHAWSA-N. The full InChI is InChI=1S/C16H12BrClN2O/c1-9-6-11(3-4-14(9)17)19-8-13-12-7-10(18)2-5-15(12)20-16(13)21/h2-8,20-21H,1H3/b19-8+.
What are the key properties of 3-[(4-bromo-3-methylphenyl)iminomethyl]-5-chloro-1H-indol-2-ol?
3-[(4-bromo-3-methylphenyl)iminomethyl]-5-chloro-1H-indol-2-ol has a molecular weight of 363.64 g/mol, XLogP of 5.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-3-methylphenyl)iminomethyl]-5-chloro-1H-indol-2-ol is sourced from PubChem (CID 136996261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).