2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-imidazol-1-ylpropyl)imidazole

C19H22N4O2 — CID 95205234

IUPAC2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-imidazol-1-ylpropyl)imidazole
SMILESC[C@H](Cc1ccc2c(c1)OCO2)c1nccn1CCCn1ccnc1
InChIInChI=1S/C19H22N4O2/c1-15(11-16-3-4-17-18(12-16)25-14-24-17)19-21-6-10-23(19)8-2-7-22-9-5-20-13-22/h3-6,9-10,12-13,15H,2,7-8,11,14H2,1H3/t15-/m1/s1
InChIKeyVTDHRYLCGACJQM-OAHLLOKOSA-N
MW338.41 g/mol
LogP3.24
Rot. Bonds7

About 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-imidazol-1-ylpropyl)imidazole

2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-imidazol-1-ylpropyl)imidazole (PubChem CID 95205234) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-imidazol-1-ylpropyl)imidazole.

Molecular Properties

Compound Name2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-imidazol-1-ylpropyl)imidazole
PubChem CID95205234
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-imidazol-1-ylpropyl)imidazole
SMILESC[C@H](Cc1ccc2c(c1)OCO2)c1nccn1CCCn1ccnc1
InChIInChI=1S/C19H22N4O2/c1-15(11-16-3-4-17-18(12-16)25-14-24-17)19-21-6-10-23(19)8-2-7-22-9-5-20-13-22/h3-6,9-10,12-13,15H,2,7-8,11,14H2,1H3/t15-/m1/s1
InChIKeyVTDHRYLCGACJQM-OAHLLOKOSA-N
XLogP3.24
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-imidazol-1-ylpropyl)imidazole with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]-N,N-dimethylethanesulfonamide
CID 70723748
3-[[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]methyl]pyridine
CID 56751275
2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(furan-3-ylmethyl)imidazole
CID 95209576
6-[2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]quinoxaline
CID 95559962
2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(1,3-dihydro-2-benzofuran-5-yl)imidazole
CID 138383889
N-(1,3-benzodioxol-5-ylmethyl)-N-(3-imidazol-1-ylpropyl)hexanamide
CID 42724139
1-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazole
CID 45097499
[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-[4-(3-imidazol-1-ylpropoxy)phenyl]butan-2-yl]carbamic acid
CID 69010114
2-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-imidazol-1-ylethyl)-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111866613
2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-cyclopentylimidazo[1,2-a]pyrazin-3-amine
CID 95802757
5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 162024292
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-imidazol-1-ylpropyl)imidazole?
The IUPAC name of 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-imidazol-1-ylpropyl)imidazole (CID 95205234) is 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-imidazol-1-ylpropyl)imidazole.
What is the SMILES notation for 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-imidazol-1-ylpropyl)imidazole?
The canonical SMILES for 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-imidazol-1-ylpropyl)imidazole is C[C@H](Cc1ccc2c(c1)OCO2)c1nccn1CCCn1ccnc1.
What is the InChIKey of 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-imidazol-1-ylpropyl)imidazole?
The InChIKey is VTDHRYLCGACJQM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-15(11-16-3-4-17-18(12-16)25-14-24-17)19-21-6-10-23(19)8-2-7-22-9-5-20-13-22/h3-6,9-10,12-13,15H,2,7-8,11,14H2,1H3/t15-/m1/s1.
What are the key properties of 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-imidazol-1-ylpropyl)imidazole?
2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-imidazol-1-ylpropyl)imidazole has a molecular weight of 338.41 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-imidazol-1-ylpropyl)imidazole is sourced from PubChem (CID 95205234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).