(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanol

C17H21N3O3 — CID 95610496

IUPAC(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanol
SMILESCn1cnc2c1CCN(C[C@@H](O)c1ccc3c(c1)OCCO3)C2
InChIInChI=1S/C17H21N3O3/c1-19-11-18-13-9-20(5-4-14(13)19)10-15(21)12-2-3-16-17(8-12)23-7-6-22-16/h2-3,8,11,15,21H,4-7,9-10H2,1H3/t15-/m1/s1
InChIKeyPJFSUTSQZLTEGP-OAHLLOKOSA-N
MW315.37 g/mol
LogP1.28
Rot. Bonds3

About (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanol

(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanol (PubChem CID 95610496) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanol
PubChem CID95610496
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanol
SMILESCn1cnc2c1CCN(C[C@@H](O)c1ccc3c(c1)OCCO3)C2
InChIInChI=1S/C17H21N3O3/c1-19-11-18-13-9-20(5-4-14(13)19)10-15(21)12-2-3-16-17(8-12)23-7-6-22-16/h2-3,8,11,15,21H,4-7,9-10H2,1H3/t15-/m1/s1
InChIKeyPJFSUTSQZLTEGP-OAHLLOKOSA-N
XLogP1.28
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 95054921
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol
CID 3261136
1-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 56803067
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70227798
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-3-methylimidazol-2-one
CID 80583217
1-(1,3-benzodioxol-5-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanol
CID 60980183
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanol
CID 52516655
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
CID 16677240
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol
CID 83135383
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyrimidin-4-one
CID 63769047
4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 47069555

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanol?
The IUPAC name of (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanol (CID 95610496) is (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanol.
What is the SMILES notation for (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanol?
The canonical SMILES for (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanol is Cn1cnc2c1CCN(C[C@@H](O)c1ccc3c(c1)OCCO3)C2.
What is the InChIKey of (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanol?
The InChIKey is PJFSUTSQZLTEGP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-19-11-18-13-9-20(5-4-14(13)19)10-15(21)12-2-3-16-17(8-12)23-7-6-22-16/h2-3,8,11,15,21H,4-7,9-10H2,1H3/t15-/m1/s1.
What are the key properties of (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanol?
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanol has a molecular weight of 315.37 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanol is sourced from PubChem (CID 95610496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).