5-chloro-3-[(3-methyl-4-propan-2-ylphenyl)iminomethyl]-1H-indol-2-ol

C19H19ClN2O — CID 135433555

IUPAC5-chloro-3-[(3-methyl-4-propan-2-ylphenyl)iminomethyl]-1H-indol-2-ol
SMILESCc1cc(/N=C/c2c(O)[nH]c3ccc(Cl)cc23)ccc1C(C)C
InChIInChI=1S/C19H19ClN2O/c1-11(2)15-6-5-14(8-12(15)3)21-10-17-16-9-13(20)4-7-18(16)22-19(17)23/h4-11,22-23H,1-3H3/b21-10+
InChIKeyZZDWIANCXHWSAA-UFFVCSGVSA-N
MW326.83 g/mol
LogP5.71
Rot. Bonds3

About 5-chloro-3-[(3-methyl-4-propan-2-ylphenyl)iminomethyl]-1H-indol-2-ol

5-chloro-3-[(3-methyl-4-propan-2-ylphenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 135433555) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 5-chloro-3-[(3-methyl-4-propan-2-ylphenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-chloro-3-[(3-methyl-4-propan-2-ylphenyl)iminomethyl]-1H-indol-2-ol
PubChem CID135433555
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name5-chloro-3-[(3-methyl-4-propan-2-ylphenyl)iminomethyl]-1H-indol-2-ol
SMILESCc1cc(/N=C/c2c(O)[nH]c3ccc(Cl)cc23)ccc1C(C)C
InChIInChI=1S/C19H19ClN2O/c1-11(2)15-6-5-14(8-12(15)3)21-10-17-16-9-13(20)4-7-18(16)22-19(17)23/h4-11,22-23H,1-3H3/b21-10+
InChIKeyZZDWIANCXHWSAA-UFFVCSGVSA-N
XLogP5.71
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.83
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3-methyl-4-propan-2-ylphenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 5-chloro-3-[(3-methyl-4-propan-2-ylphenyl)iminomethyl]-1H-indol-2-ol (CID 135433555) is 5-chloro-3-[(3-methyl-4-propan-2-ylphenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 5-chloro-3-[(3-methyl-4-propan-2-ylphenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 5-chloro-3-[(3-methyl-4-propan-2-ylphenyl)iminomethyl]-1H-indol-2-ol is Cc1cc(/N=C/c2c(O)[nH]c3ccc(Cl)cc23)ccc1C(C)C.
What is the InChIKey of 5-chloro-3-[(3-methyl-4-propan-2-ylphenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is ZZDWIANCXHWSAA-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-11(2)15-6-5-14(8-12(15)3)21-10-17-16-9-13(20)4-7-18(16)22-19(17)23/h4-11,22-23H,1-3H3/b21-10+.
What are the key properties of 5-chloro-3-[(3-methyl-4-propan-2-ylphenyl)iminomethyl]-1H-indol-2-ol?
5-chloro-3-[(3-methyl-4-propan-2-ylphenyl)iminomethyl]-1H-indol-2-ol has a molecular weight of 326.83 g/mol, XLogP of 5.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3-methyl-4-propan-2-ylphenyl)iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 135433555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).