9-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one

C24H25N3O2 — CID 2937983

IUPAC9-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one
SMILESCc1ccc2c(c1)c1c(n2CC(O)Cn2c(C)nc3ccccc32)C(=O)CCC1
InChIInChI=1S/C24H25N3O2/c1-15-10-11-21-19(12-15)18-6-5-9-23(29)24(18)27(21)14-17(28)13-26-16(2)25-20-7-3-4-8-22(20)26/h3-4,7-8,10-12,17,28H,5-6,9,13-14H2,1-2H3
InChIKeyZGHPSPZDXBQRMT-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.19
Rot. Bonds4

About 9-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one

9-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one (PubChem CID 2937983) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 9-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one.

Molecular Properties

Compound Name9-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one
PubChem CID2937983
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name9-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one
SMILESCc1ccc2c(c1)c1c(n2CC(O)Cn2c(C)nc3ccccc32)C(=O)CCC1
InChIInChI=1S/C24H25N3O2/c1-15-10-11-21-19(12-15)18-6-5-9-23(29)24(18)27(21)14-17(28)13-26-16(2)25-20-7-3-4-8-22(20)26/h3-4,7-8,10-12,17,28H,5-6,9,13-14H2,1-2H3
InChIKeyZGHPSPZDXBQRMT-UHFFFAOYSA-N
XLogP4.19
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one 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 9-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one?
The IUPAC name of 9-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one (CID 2937983) is 9-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one.
What is the SMILES notation for 9-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one?
The canonical SMILES for 9-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one is Cc1ccc2c(c1)c1c(n2CC(O)Cn2c(C)nc3ccccc32)C(=O)CCC1.
What is the InChIKey of 9-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one?
The InChIKey is ZGHPSPZDXBQRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-15-10-11-21-19(12-15)18-6-5-9-23(29)24(18)27(21)14-17(28)13-26-16(2)25-20-7-3-4-8-22(20)26/h3-4,7-8,10-12,17,28H,5-6,9,13-14H2,1-2H3.
What are the key properties of 9-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one?
9-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one has a molecular weight of 387.48 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one is sourced from PubChem (CID 2937983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).