methyl 9-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate

C20H23N3O2 — CID 57390253

IUPACmethyl 9-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c1c(n2CCCn2ccnc2)CCCC1
InChIInChI=1S/C20H23N3O2/c1-25-20(24)15-7-8-19-17(13-15)16-5-2-3-6-18(16)23(19)11-4-10-22-12-9-21-14-22/h7-9,12-14H,2-6,10-11H2,1H3
InChIKeyFIYQMRUTYABPBV-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.59
Rot. Bonds5

About methyl 9-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate

methyl 9-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate (PubChem CID 57390253) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is methyl 9-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
PubChem CID57390253
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Namemethyl 9-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c1c(n2CCCn2ccnc2)CCCC1
InChIInChI=1S/C20H23N3O2/c1-25-20(24)15-7-8-19-17(13-15)16-5-2-3-6-18(16)23(19)11-4-10-22-12-9-21-14-22/h7-9,12-14H,2-6,10-11H2,1H3
InChIKeyFIYQMRUTYABPBV-UHFFFAOYSA-N
XLogP3.59
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze methyl 9-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 9-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate?
The IUPAC name of methyl 9-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate (CID 57390253) is methyl 9-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate.
What is the SMILES notation for methyl 9-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate?
The canonical SMILES for methyl 9-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate is COC(=O)c1ccc2c(c1)c1c(n2CCCn2ccnc2)CCCC1.
What is the InChIKey of methyl 9-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate?
The InChIKey is FIYQMRUTYABPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-25-20(24)15-7-8-19-17(13-15)16-5-2-3-6-18(16)23(19)11-4-10-22-12-9-21-14-22/h7-9,12-14H,2-6,10-11H2,1H3.
What are the key properties of methyl 9-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate?
methyl 9-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate is sourced from PubChem (CID 57390253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).