2-(2,2-dimethyloxan-4-yl)-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]imidazole

C18H28N4O — CID 70773740

IUPAC2-(2,2-dimethyloxan-4-yl)-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]imidazole
SMILESCC(C)Cn1cncc1Cn1ccnc1C1CCOC(C)(C)C1
InChIInChI=1S/C18H28N4O/c1-14(2)11-22-13-19-10-16(22)12-21-7-6-20-17(21)15-5-8-23-18(3,4)9-15/h6-7,10,13-15H,5,8-9,11-12H2,1-4H3
InChIKeyCLWIZTWRGZQTDS-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.46
Rot. Bonds5

About 2-(2,2-dimethyloxan-4-yl)-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]imidazole

2-(2,2-dimethyloxan-4-yl)-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]imidazole (PubChem CID 70773740) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-(2,2-dimethyloxan-4-yl)-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]imidazole.

Molecular Properties

Compound Name2-(2,2-dimethyloxan-4-yl)-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]imidazole
PubChem CID70773740
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name2-(2,2-dimethyloxan-4-yl)-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]imidazole
SMILESCC(C)Cn1cncc1Cn1ccnc1C1CCOC(C)(C)C1
InChIInChI=1S/C18H28N4O/c1-14(2)11-22-13-19-10-16(22)12-21-7-6-20-17(21)15-5-8-23-18(3,4)9-15/h6-7,10,13-15H,5,8-9,11-12H2,1-4H3
InChIKeyCLWIZTWRGZQTDS-UHFFFAOYSA-N
XLogP3.46
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97493559
9-[(1-isobutyl-1H-imidazol-5-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
CID 91832513
2-[[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine
CID 95415455
2-methyl-5-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]pyrazine
CID 95558457
2-[(4S)-2,2-dimethyloxan-4-yl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]imidazole
CID 95894779
1-[(2R,3S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-4-methylimidazole
CID 58864120
1-[(2R,4R,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]-4-methylimidazole
CID 59838387
N-methyl-1-[3-methyl-2-(oxan-4-yl)imidazol-4-yl]methanamine
CID 139570798
1-[14-(4,4-Dimethylpentoxy)tetradecyl]-2-[1-[13-(4-methylpentoxy)tridecyl]imidazol-4-yl]imidazole
CID 174353719
(2R)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine
CID 42530237
(2S)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine
CID 42530239
4-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-2-(4-methylpentyl)morpholine
CID 45215366

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyloxan-4-yl)-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]imidazole?
The IUPAC name of 2-(2,2-dimethyloxan-4-yl)-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]imidazole (CID 70773740) is 2-(2,2-dimethyloxan-4-yl)-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]imidazole.
What is the SMILES notation for 2-(2,2-dimethyloxan-4-yl)-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]imidazole?
The canonical SMILES for 2-(2,2-dimethyloxan-4-yl)-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]imidazole is CC(C)Cn1cncc1Cn1ccnc1C1CCOC(C)(C)C1.
What is the InChIKey of 2-(2,2-dimethyloxan-4-yl)-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]imidazole?
The InChIKey is CLWIZTWRGZQTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-14(2)11-22-13-19-10-16(22)12-21-7-6-20-17(21)15-5-8-23-18(3,4)9-15/h6-7,10,13-15H,5,8-9,11-12H2,1-4H3.
What are the key properties of 2-(2,2-dimethyloxan-4-yl)-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]imidazole?
2-(2,2-dimethyloxan-4-yl)-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]imidazole has a molecular weight of 316.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyloxan-4-yl)-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]imidazole is sourced from PubChem (CID 70773740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).