2-ethyl-5-methyl-4-[1-(oxan-2-ylmethyl)imidazol-2-yl]-1H-imidazole

C15H22N4O — CID 56868611

IUPAC2-ethyl-5-methyl-4-[1-(oxan-2-ylmethyl)imidazol-2-yl]-1H-imidazole
SMILESCCc1nc(-c2nccn2CC2CCCCO2)c(C)[nH]1
InChIInChI=1S/C15H22N4O/c1-3-13-17-11(2)14(18-13)15-16-7-8-19(15)10-12-6-4-5-9-20-12/h7-8,12H,3-6,9-10H2,1-2H3,(H,17,18)
InChIKeyHKHDKASCFVOSON-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.71
Rot. Bonds4

About 2-ethyl-5-methyl-4-[1-(oxan-2-ylmethyl)imidazol-2-yl]-1H-imidazole

2-ethyl-5-methyl-4-[1-(oxan-2-ylmethyl)imidazol-2-yl]-1H-imidazole (PubChem CID 56868611) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-ethyl-5-methyl-4-[1-(oxan-2-ylmethyl)imidazol-2-yl]-1H-imidazole.

Molecular Properties

Compound Name2-ethyl-5-methyl-4-[1-(oxan-2-ylmethyl)imidazol-2-yl]-1H-imidazole
PubChem CID56868611
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-ethyl-5-methyl-4-[1-(oxan-2-ylmethyl)imidazol-2-yl]-1H-imidazole
SMILESCCc1nc(-c2nccn2CC2CCCCO2)c(C)[nH]1
InChIInChI=1S/C15H22N4O/c1-3-13-17-11(2)14(18-13)15-16-7-8-19(15)10-12-6-4-5-9-20-12/h7-8,12H,3-6,9-10H2,1-2H3,(H,17,18)
InChIKeyHKHDKASCFVOSON-UHFFFAOYSA-N
XLogP2.71
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1H,1'H-2,4'-biimidazol-1-yl)propyl]piperidin-4-ol
CID 56869519
1-(2-methoxyethyl)-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56873208
5'-methyl-1-{3-[(1-methylpiperidin-4-yl)oxy]propyl}-1H,3'H-2,4'-biimidazole
CID 70777526
2'-butyl-1-[(3S*,4R*)-4-ethoxytetrahydrofuran-3-yl]-1H,1'H-2,4'-biimidazole
CID 70754992
1-[(2S)-tetrahydrofuran-2-ylmethyl]-1H,1'H-2,4'-biimidazole
CID 70762846
1-[(2S)-2-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]morpholin-4-yl]ethanone
CID 96400613
(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine
CID 164637986
1-[(2'-butyl-1H,1'H-2,4'-biimidazol-1-yl)methyl]cyclohexanol
CID 56867054
5-methyl-2-[(5-methyl-1H-imidazol-2-yl)-octoxymethyl]-1H-imidazole
CID 117719252
2'-butyl-1-(3-methoxypropyl)-1H,1'H-2,4'-biimidazole
CID 56742976
5'-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-1H,3'H-2,4'-biimidazole
CID 56863349
{1-[2-(2'-butyl-1H,1'H-2,4'-biimidazol-1-yl)ethyl]piperidin-2-yl}methanol
CID 56867113

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-4-[1-(oxan-2-ylmethyl)imidazol-2-yl]-1H-imidazole?
The IUPAC name of 2-ethyl-5-methyl-4-[1-(oxan-2-ylmethyl)imidazol-2-yl]-1H-imidazole (CID 56868611) is 2-ethyl-5-methyl-4-[1-(oxan-2-ylmethyl)imidazol-2-yl]-1H-imidazole.
What is the SMILES notation for 2-ethyl-5-methyl-4-[1-(oxan-2-ylmethyl)imidazol-2-yl]-1H-imidazole?
The canonical SMILES for 2-ethyl-5-methyl-4-[1-(oxan-2-ylmethyl)imidazol-2-yl]-1H-imidazole is CCc1nc(-c2nccn2CC2CCCCO2)c(C)[nH]1.
What is the InChIKey of 2-ethyl-5-methyl-4-[1-(oxan-2-ylmethyl)imidazol-2-yl]-1H-imidazole?
The InChIKey is HKHDKASCFVOSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-13-17-11(2)14(18-13)15-16-7-8-19(15)10-12-6-4-5-9-20-12/h7-8,12H,3-6,9-10H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-5-methyl-4-[1-(oxan-2-ylmethyl)imidazol-2-yl]-1H-imidazole?
2-ethyl-5-methyl-4-[1-(oxan-2-ylmethyl)imidazol-2-yl]-1H-imidazole has a molecular weight of 274.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-4-[1-(oxan-2-ylmethyl)imidazol-2-yl]-1H-imidazole is sourced from PubChem (CID 56868611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).