2-(2,2-dimethyloxan-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole

C21H29N3O — CID 56918232

IUPAC2-(2,2-dimethyloxan-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole
SMILESCC1(C)CC(c2nccn2-c2ccccc2CN2CCCC2)CCO1
InChIInChI=1S/C21H29N3O/c1-21(2)15-17(9-14-25-21)20-22-10-13-24(20)19-8-4-3-7-18(19)16-23-11-5-6-12-23/h3-4,7-8,10,13,17H,5-6,9,11-12,14-16H2,1-2H3
InChIKeyIJMNYLWZMJDGIA-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.14
Rot. Bonds4

About 2-(2,2-dimethyloxan-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole

2-(2,2-dimethyloxan-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole (PubChem CID 56918232) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-(2,2-dimethyloxan-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole.

Molecular Properties

Compound Name2-(2,2-dimethyloxan-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole
PubChem CID56918232
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2-(2,2-dimethyloxan-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole
SMILESCC1(C)CC(c2nccn2-c2ccccc2CN2CCCC2)CCO1
InChIInChI=1S/C21H29N3O/c1-21(2)15-17(9-14-25-21)20-22-10-13-24(20)19-8-4-3-7-18(19)16-23-11-5-6-12-23/h3-4,7-8,10,13,17H,5-6,9,11-12,14-16H2,1-2H3
InChIKeyIJMNYLWZMJDGIA-UHFFFAOYSA-N
XLogP4.14
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,2-dimethyloxan-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]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

1-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethyloxan-4-yl)imidazole
CID 56865838
N-[4-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]phenyl]acetamide
CID 96578399
N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-3-methylpyridin-2-amine
CID 70749991
5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole
CID 95724185
3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine
CID 70726892
1-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-[(3R)-oxolan-3-yl]triazole
CID 97125291
8-[2-(1-ethylpiperidin-3-yl)imidazol-1-yl]quinoline
CID 56911370
1-benzyl-4-(2,2-dimethyloxan-4-yl)piperidine
CID 159650765
3-[5-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 56871065
(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96573404
(1R,9aR)-1-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ol
CID 46983982
(3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
CID 96575360

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyloxan-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole?
The IUPAC name of 2-(2,2-dimethyloxan-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole (CID 56918232) is 2-(2,2-dimethyloxan-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole.
What is the SMILES notation for 2-(2,2-dimethyloxan-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole?
The canonical SMILES for 2-(2,2-dimethyloxan-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole is CC1(C)CC(c2nccn2-c2ccccc2CN2CCCC2)CCO1.
What is the InChIKey of 2-(2,2-dimethyloxan-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole?
The InChIKey is IJMNYLWZMJDGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-21(2)15-17(9-14-25-21)20-22-10-13-24(20)19-8-4-3-7-18(19)16-23-11-5-6-12-23/h3-4,7-8,10,13,17H,5-6,9,11-12,14-16H2,1-2H3.
What are the key properties of 2-(2,2-dimethyloxan-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole?
2-(2,2-dimethyloxan-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole has a molecular weight of 339.48 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyloxan-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole is sourced from PubChem (CID 56918232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).