1-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethyloxan-4-yl)imidazole

C19H24N2O — CID 56865838

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethyloxan-4-yl)imidazole
SMILESCC1(C)CC(c2nccn2C2Cc3ccccc3C2)CCO1
InChIInChI=1S/C19H24N2O/c1-19(2)13-16(7-10-22-19)18-20-8-9-21(18)17-11-14-5-3-4-6-15(14)12-17/h3-6,8-9,16-17H,7,10-13H2,1-2H3
InChIKeyPBBXFJJCFGRQRB-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.90
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethyloxan-4-yl)imidazole

1-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethyloxan-4-yl)imidazole (PubChem CID 56865838) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethyloxan-4-yl)imidazole.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethyloxan-4-yl)imidazole
PubChem CID56865838
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethyloxan-4-yl)imidazole
SMILESCC1(C)CC(c2nccn2C2Cc3ccccc3C2)CCO1
InChIInChI=1S/C19H24N2O/c1-19(2)13-16(7-10-22-19)18-20-8-9-21(18)17-11-14-5-3-4-6-15(14)12-17/h3-6,8-9,16-17H,7,10-13H2,1-2H3
InChIKeyPBBXFJJCFGRQRB-UHFFFAOYSA-N
XLogP3.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethyloxan-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole
CID 56918232
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
1-cyclopentyl-4-[[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]methyl]piperidine
CID 56870394
2-tert-butyl-1-(2,3-dihydro-1H-inden-2-yl)imidazole
CID 56873099
1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine
CID 157102374
5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole
CID 95724185
3-[5-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 56871065
1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpyrazol-3-yl)imidazole
CID 155910429
1-(2,2-dimethyloxan-4-yl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106578750
2-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-6-fluoro-1H-benzimidazole
CID 95862792
(4R)-2,2-dimethyl-4-[2-(trifluoromethyl)phenyl]oxane
CID 67814317

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethyloxan-4-yl)imidazole?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethyloxan-4-yl)imidazole (CID 56865838) is 1-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethyloxan-4-yl)imidazole.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethyloxan-4-yl)imidazole?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethyloxan-4-yl)imidazole is CC1(C)CC(c2nccn2C2Cc3ccccc3C2)CCO1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethyloxan-4-yl)imidazole?
The InChIKey is PBBXFJJCFGRQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-19(2)13-16(7-10-22-19)18-20-8-9-21(18)17-11-14-5-3-4-6-15(14)12-17/h3-6,8-9,16-17H,7,10-13H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethyloxan-4-yl)imidazole?
1-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethyloxan-4-yl)imidazole has a molecular weight of 296.41 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethyloxan-4-yl)imidazole is sourced from PubChem (CID 56865838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).