2-[[4-[2-(methoxymethyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylbutoxy]methyl]-5-methyl-1H-imidazole

C15H26N4O2 — CID 123984834

IUPAC2-[[4-[2-(methoxymethyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylbutoxy]methyl]-5-methyl-1H-imidazole
SMILESCOCC1=NCC(CC(C)CCOCc2ncc(C)[nH]2)N1
InChIInChI=1S/C15H26N4O2/c1-11(6-13-8-17-14(19-13)9-20-3)4-5-21-10-15-16-7-12(2)18-15/h7,11,13H,4-6,8-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyGHIKLYIWTKZUEJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.67
Rot. Bonds9

About 2-[[4-[2-(methoxymethyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylbutoxy]methyl]-5-methyl-1H-imidazole

2-[[4-[2-(methoxymethyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylbutoxy]methyl]-5-methyl-1H-imidazole (PubChem CID 123984834) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[[4-[2-(methoxymethyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylbutoxy]methyl]-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-[[4-[2-(methoxymethyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylbutoxy]methyl]-5-methyl-1H-imidazole
PubChem CID123984834
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-[[4-[2-(methoxymethyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylbutoxy]methyl]-5-methyl-1H-imidazole
SMILESCOCC1=NCC(CC(C)CCOCc2ncc(C)[nH]2)N1
InChIInChI=1S/C15H26N4O2/c1-11(6-13-8-17-14(19-13)9-20-3)4-5-21-10-15-16-7-12(2)18-15/h7,11,13H,4-6,8-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyGHIKLYIWTKZUEJ-UHFFFAOYSA-N
XLogP1.67
TPSA71.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,9-dioxaspiro[5.5]undec-4-yl[2-(4-methyl-1H-imidazol-2-yl)ethyl]amine
CID 70716413
5-methyl-2-(oxan-3-yl)-1H-imidazole
CID 89475542
4-[2-[(2-propyl-1H-imidazol-5-yl)methoxy]ethyl]piperidine
CID 91421736
2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 123399244
2-[4-(methoxymethyl)pyrrolidin-2-yl]-5-propan-2-yl-1H-imidazole
CID 123994313
2-[(3R,5S)-1-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanol
CID 129189722
2-[(2S,4S)-4-(methoxymethyl)pyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 129191762
2-(oxolan-2-yl)-5-propan-2-yl-1H-imidazole
CID 135219930
5-methyl-2-(oxolan-2-yl)-1H-imidazole
CID 141388667
2-(5-methyl-1H-imidazol-2-yl)-1-(oxetan-3-yl)propan-2-amine
CID 141483758
ethane;5-methyl-2-(oxan-4-yl)-1H-imidazole
CID 145695978
2-[2-(methoxymethyl)cyclopropyl]-5-methyl-1H-imidazole
CID 146259099

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(methoxymethyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylbutoxy]methyl]-5-methyl-1H-imidazole?
The IUPAC name of 2-[[4-[2-(methoxymethyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylbutoxy]methyl]-5-methyl-1H-imidazole (CID 123984834) is 2-[[4-[2-(methoxymethyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylbutoxy]methyl]-5-methyl-1H-imidazole.
What is the SMILES notation for 2-[[4-[2-(methoxymethyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylbutoxy]methyl]-5-methyl-1H-imidazole?
The canonical SMILES for 2-[[4-[2-(methoxymethyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylbutoxy]methyl]-5-methyl-1H-imidazole is COCC1=NCC(CC(C)CCOCc2ncc(C)[nH]2)N1.
What is the InChIKey of 2-[[4-[2-(methoxymethyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylbutoxy]methyl]-5-methyl-1H-imidazole?
The InChIKey is GHIKLYIWTKZUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11(6-13-8-17-14(19-13)9-20-3)4-5-21-10-15-16-7-12(2)18-15/h7,11,13H,4-6,8-10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 2-[[4-[2-(methoxymethyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylbutoxy]methyl]-5-methyl-1H-imidazole?
2-[[4-[2-(methoxymethyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylbutoxy]methyl]-5-methyl-1H-imidazole has a molecular weight of 294.40 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(methoxymethyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylbutoxy]methyl]-5-methyl-1H-imidazole is sourced from PubChem (CID 123984834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).