(2S)-6-methyl-7-[(1R)-1-(5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-ol

C24H28N2O — CID 144589623

IUPAC(2S)-6-methyl-7-[(1R)-1-(5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCc1cc2c(cc1[C@@H](C)n1cnc3cc4c(cc31)CCCC4)C[C@@H](O)CC2
InChIInChI=1S/C24H28N2O/c1-15-9-19-7-8-21(27)10-20(19)11-22(15)16(2)26-14-25-23-12-17-5-3-4-6-18(17)13-24(23)26/h9,11-14,16,21,27H,3-8,10H2,1-2H3/t16-,21+/m1/s1
InChIKeyIMQQTUNBMVTWDT-IERDGZPVSA-N
MW360.50 g/mol
LogP4.68
Rot. Bonds2

About (2S)-6-methyl-7-[(1R)-1-(5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-ol

(2S)-6-methyl-7-[(1R)-1-(5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 144589623) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is (2S)-6-methyl-7-[(1R)-1-(5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2S)-6-methyl-7-[(1R)-1-(5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID144589623
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name(2S)-6-methyl-7-[(1R)-1-(5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCc1cc2c(cc1[C@@H](C)n1cnc3cc4c(cc31)CCCC4)C[C@@H](O)CC2
InChIInChI=1S/C24H28N2O/c1-15-9-19-7-8-21(27)10-20(19)11-22(15)16(2)26-14-25-23-12-17-5-3-4-6-18(17)13-24(23)26/h9,11-14,16,21,27H,3-8,10H2,1-2H3/t16-,21+/m1/s1
InChIKeyIMQQTUNBMVTWDT-IERDGZPVSA-N
XLogP4.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-6-methyl-7-[(1R)-1-(5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-ol 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 (2S)-6-methyl-7-[(1R)-1-(5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (2S)-6-methyl-7-[(1R)-1-(5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-ol (CID 144589623) is (2S)-6-methyl-7-[(1R)-1-(5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (2S)-6-methyl-7-[(1R)-1-(5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (2S)-6-methyl-7-[(1R)-1-(5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-ol is Cc1cc2c(cc1[C@@H](C)n1cnc3cc4c(cc31)CCCC4)C[C@@H](O)CC2.
What is the InChIKey of (2S)-6-methyl-7-[(1R)-1-(5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is IMQQTUNBMVTWDT-IERDGZPVSA-N. The full InChI is InChI=1S/C24H28N2O/c1-15-9-19-7-8-21(27)10-20(19)11-22(15)16(2)26-14-25-23-12-17-5-3-4-6-18(17)13-24(23)26/h9,11-14,16,21,27H,3-8,10H2,1-2H3/t16-,21+/m1/s1.
What are the key properties of (2S)-6-methyl-7-[(1R)-1-(5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-ol?
(2S)-6-methyl-7-[(1R)-1-(5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 360.50 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methyl-7-[(1R)-1-(5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 144589623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).