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

C16H18BrClN2O — CID 1361017

IUPAC5-bromo-4-chloro-2-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1H-indol-3-ol
SMILESC[C@H]1CCCC[C@@H]1/N=C/c1[nH]c2ccc(Br)c(Cl)c2c1O
InChIInChI=1S/C16H18BrClN2O/c1-9-4-2-3-5-11(9)19-8-13-16(21)14-12(20-13)7-6-10(17)15(14)18/h6-9,11,20-21H,2-5H2,1H3/b19-8+/t9-,11-/m0/s1
InChIKeyMJVLAVDPXAOLQA-WMFDGFHISA-N
MW369.69 g/mol
LogP5.29
Rot. Bonds2

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

5-bromo-4-chloro-2-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1H-indol-3-ol (PubChem CID 1361017) has the molecular formula C16H18BrClN2O and a molecular weight of 369.69 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1H-indol-3-ol.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1H-indol-3-ol
PubChem CID1361017
Molecular FormulaC16H18BrClN2O
Molecular Weight369.69 g/mol
Exact Mass368.03
IUPAC Name5-bromo-4-chloro-2-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1H-indol-3-ol
SMILESC[C@H]1CCCC[C@@H]1/N=C/c1[nH]c2ccc(Br)c(Cl)c2c1O
InChIInChI=1S/C16H18BrClN2O/c1-9-4-2-3-5-11(9)19-8-13-16(21)14-12(20-13)7-6-10(17)15(14)18/h6-9,11,20-21H,2-5H2,1H3/b19-8+/t9-,11-/m0/s1
InChIKeyMJVLAVDPXAOLQA-WMFDGFHISA-N
XLogP5.29
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.69
LogP ≤ 55.29
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-bromo-4-chloro-2-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1H-indol-3-ol?
The IUPAC name of 5-bromo-4-chloro-2-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1H-indol-3-ol (CID 1361017) is 5-bromo-4-chloro-2-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1H-indol-3-ol.
What is the SMILES notation for 5-bromo-4-chloro-2-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1H-indol-3-ol?
The canonical SMILES for 5-bromo-4-chloro-2-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1H-indol-3-ol is C[C@H]1CCCC[C@@H]1/N=C/c1[nH]c2ccc(Br)c(Cl)c2c1O.
What is the InChIKey of 5-bromo-4-chloro-2-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1H-indol-3-ol?
The InChIKey is MJVLAVDPXAOLQA-WMFDGFHISA-N. The full InChI is InChI=1S/C16H18BrClN2O/c1-9-4-2-3-5-11(9)19-8-13-16(21)14-12(20-13)7-6-10(17)15(14)18/h6-9,11,20-21H,2-5H2,1H3/b19-8+/t9-,11-/m0/s1.
What are the key properties of 5-bromo-4-chloro-2-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1H-indol-3-ol?
5-bromo-4-chloro-2-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1H-indol-3-ol has a molecular weight of 369.69 g/mol, XLogP of 5.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1H-indol-3-ol is sourced from PubChem (CID 1361017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).