(2S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)propan-2-ol

C17H23N3O — CID 95613075

IUPAC(2S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)propan-2-ol
SMILESCc1ccc([C@](C)(O)CN2CCc3c(ncn3C)C2)cc1
InChIInChI=1S/C17H23N3O/c1-13-4-6-14(7-5-13)17(2,21)11-20-9-8-16-15(10-20)18-12-19(16)3/h4-7,12,21H,8-11H2,1-3H3/t17-/m1/s1
InChIKeyBGSZEEABIGJZLP-QGZVFWFLSA-N
MW285.39 g/mol
LogP1.99
Rot. Bonds3

About (2S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)propan-2-ol

(2S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)propan-2-ol (PubChem CID 95613075) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (2S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)propan-2-ol
PubChem CID95613075
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(2S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)propan-2-ol
SMILESCc1ccc([C@](C)(O)CN2CCc3c(ncn3C)C2)cc1
InChIInChI=1S/C17H23N3O/c1-13-4-6-14(7-5-13)17(2,21)11-20-9-8-16-15(10-20)18-12-19(16)3/h4-7,12,21H,8-11H2,1-3H3/t17-/m1/s1
InChIKeyBGSZEEABIGJZLP-QGZVFWFLSA-N
XLogP1.99
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)propan-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)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)propan-2-ol?
The IUPAC name of (2S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)propan-2-ol (CID 95613075) is (2S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)propan-2-ol.
What is the SMILES notation for (2S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)propan-2-ol?
The canonical SMILES for (2S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)propan-2-ol is Cc1ccc([C@](C)(O)CN2CCc3c(ncn3C)C2)cc1.
What is the InChIKey of (2S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)propan-2-ol?
The InChIKey is BGSZEEABIGJZLP-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-4-6-14(7-5-13)17(2,21)11-20-9-8-16-15(10-20)18-12-19(16)3/h4-7,12,21H,8-11H2,1-3H3/t17-/m1/s1.
What are the key properties of (2S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)propan-2-ol?
(2S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)propan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)propan-2-ol is sourced from PubChem (CID 95613075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).