2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole;oxalic acid

C18H24N2O5 — CID 2935561

IUPAC2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole;oxalic acid
SMILESCc1ccc(C(C)C)c(OCCn2ccnc2C)c1.O=C(O)C(=O)O
InChIInChI=1S/C16H22N2O.C2H2O4/c1-12(2)15-6-5-13(3)11-16(15)19-10-9-18-8-7-17-14(18)4;3-1(4)2(5)6/h5-8,11-12H,9-10H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyJHTGYJJZXIDPBR-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.86
Rot. Bonds5

About 2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole;oxalic acid

2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole;oxalic acid (PubChem CID 2935561) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole;oxalic acid.

Molecular Properties

Compound Name2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole;oxalic acid
PubChem CID2935561
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole;oxalic acid
SMILESCc1ccc(C(C)C)c(OCCn2ccnc2C)c1.O=C(O)C(=O)O
InChIInChI=1S/C16H22N2O.C2H2O4/c1-12(2)15-6-5-13(3)11-16(15)19-10-9-18-8-7-17-14(18)4;3-1(4)2(5)6/h5-8,11-12H,9-10H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyJHTGYJJZXIDPBR-UHFFFAOYSA-N
XLogP2.86
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 63641006
N-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 61493032
(1S)-1-[4-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
CID 82001790
5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde
CID 63324827
1-benzyl-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine;oxalic acid
CID 2924395
3-(5-methyl-2-propan-2-ylphenoxy)-N,N-dipropylpropan-1-amine;oxalic acid
CID 2934936
(1R)-1-[2-[2-(2-methylimidazol-1-yl)ethoxy]-5-nitrophenyl]ethanol
CID 104890022
methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate
CID 4280995
methyl 4-amino-3-[2-(2-methylimidazol-1-yl)ethoxy]benzoate
CID 61493916
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
3-chloro-4-[2-(2-methylimidazol-1-yl)ethoxy]aniline
CID 54961449
(1R)-1-[4-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 104934285

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole;oxalic acid?
The IUPAC name of 2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole;oxalic acid (CID 2935561) is 2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole;oxalic acid.
What is the SMILES notation for 2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole;oxalic acid?
The canonical SMILES for 2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole;oxalic acid is Cc1ccc(C(C)C)c(OCCn2ccnc2C)c1.O=C(O)C(=O)O.
What is the InChIKey of 2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole;oxalic acid?
The InChIKey is JHTGYJJZXIDPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.C2H2O4/c1-12(2)15-6-5-13(3)11-16(15)19-10-9-18-8-7-17-14(18)4;3-1(4)2(5)6/h5-8,11-12H,9-10H2,1-4H3;(H,3,4)(H,5,6).
What are the key properties of 2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole;oxalic acid?
2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole;oxalic acid has a molecular weight of 348.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole;oxalic acid is sourced from PubChem (CID 2935561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).