3-[(4-chlorophenyl)methyliminomethyl]-1H-indol-2-ol

C16H13ClN2O — CID 2256113

IUPAC3-[(4-chlorophenyl)methyliminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=N/Cc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)9-18-10-14-13-3-1-2-4-15(13)19-16(14)20/h1-8,10,19-20H,9H2/b18-10+
InChIKeyZYMKGOUJXLZADD-VCHYOVAHSA-N
MW284.75 g/mol
LogP4.15
Rot. Bonds3

About 3-[(4-chlorophenyl)methyliminomethyl]-1H-indol-2-ol

3-[(4-chlorophenyl)methyliminomethyl]-1H-indol-2-ol (PubChem CID 2256113) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyliminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyliminomethyl]-1H-indol-2-ol
PubChem CID2256113
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name3-[(4-chlorophenyl)methyliminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=N/Cc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)9-18-10-14-13-3-1-2-4-15(13)19-16(14)20/h1-8,10,19-20H,9H2/b18-10+
InChIKeyZYMKGOUJXLZADD-VCHYOVAHSA-N
XLogP4.15
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.15
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 3-[(4-chlorophenyl)methyliminomethyl]-1H-indol-2-ol?
The IUPAC name of 3-[(4-chlorophenyl)methyliminomethyl]-1H-indol-2-ol (CID 2256113) is 3-[(4-chlorophenyl)methyliminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(4-chlorophenyl)methyliminomethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(4-chlorophenyl)methyliminomethyl]-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/C=N/Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyliminomethyl]-1H-indol-2-ol?
The InChIKey is ZYMKGOUJXLZADD-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)9-18-10-14-13-3-1-2-4-15(13)19-16(14)20/h1-8,10,19-20H,9H2/b18-10+.
What are the key properties of 3-[(4-chlorophenyl)methyliminomethyl]-1H-indol-2-ol?
3-[(4-chlorophenyl)methyliminomethyl]-1H-indol-2-ol has a molecular weight of 284.75 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyliminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 2256113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).