1-methyl-5-[1-[2-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole

C18H20N4O2 — CID 56710746

IUPAC1-methyl-5-[1-[2-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole
SMILESCn1cncc1-c1nccn1-c1ccccc1OCC1CCCO1
InChIInChI=1S/C18H20N4O2/c1-21-13-19-11-16(21)18-20-8-9-22(18)15-6-2-3-7-17(15)24-12-14-5-4-10-23-14/h2-3,6-9,11,13-14H,4-5,10,12H2,1H3
InChIKeyIVWVONOKFVCMAE-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.83
Rot. Bonds5

About 1-methyl-5-[1-[2-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole

1-methyl-5-[1-[2-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole (PubChem CID 56710746) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-methyl-5-[1-[2-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole.

Molecular Properties

Compound Name1-methyl-5-[1-[2-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole
PubChem CID56710746
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-methyl-5-[1-[2-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole
SMILESCn1cncc1-c1nccn1-c1ccccc1OCC1CCCO1
InChIInChI=1S/C18H20N4O2/c1-21-13-19-11-16(21)18-20-8-9-22(18)15-6-2-3-7-17(15)24-12-14-5-4-10-23-14/h2-3,6-9,11,13-14H,4-5,10,12H2,1H3
InChIKeyIVWVONOKFVCMAE-UHFFFAOYSA-N
XLogP2.83
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(oxolan-2-ylmethoxy)-4-pyridinyl]boronic acid
CID 162342133
2-methyl-N-[[4-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81254995
3-(oxolan-2-ylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 172644927
1,2-dimethyl-4-[1-[4-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole;formic acid
CID 155938206
N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 94018328
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131899334
5-chloro-N-[(3-methylimidazol-4-yl)methyl]-2-(oxan-2-ylmethoxy)aniline
CID 131961947
potassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide
CID 63676632
(1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine
CID 78932149
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-[2-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole?
The IUPAC name of 1-methyl-5-[1-[2-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole (CID 56710746) is 1-methyl-5-[1-[2-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole.
What is the SMILES notation for 1-methyl-5-[1-[2-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole?
The canonical SMILES for 1-methyl-5-[1-[2-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole is Cn1cncc1-c1nccn1-c1ccccc1OCC1CCCO1.
What is the InChIKey of 1-methyl-5-[1-[2-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole?
The InChIKey is IVWVONOKFVCMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-21-13-19-11-16(21)18-20-8-9-22(18)15-6-2-3-7-17(15)24-12-14-5-4-10-23-14/h2-3,6-9,11,13-14H,4-5,10,12H2,1H3.
What are the key properties of 1-methyl-5-[1-[2-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole?
1-methyl-5-[1-[2-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole has a molecular weight of 324.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-[2-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole is sourced from PubChem (CID 56710746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).