1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole

C14H18N2O — CID 66142372

IUPAC1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole
SMILESCC(C)c1ccccc1OCc1cncn1C
InChIInChI=1S/C14H18N2O/c1-11(2)13-6-4-5-7-14(13)17-9-12-8-15-10-16(12)3/h4-8,10-11H,9H2,1-3H3
InChIKeyLXENZEYCJPKVMP-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.12
Rot. Bonds4

About 1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole

1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole (PubChem CID 66142372) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole.

Molecular Properties

Compound Name1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole
PubChem CID66142372
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole
SMILESCC(C)c1ccccc1OCc1cncn1C
InChIInChI=1S/C14H18N2O/c1-11(2)13-6-4-5-7-14(13)17-9-12-8-15-10-16(12)3/h4-8,10-11H,9H2,1-3H3
InChIKeyLXENZEYCJPKVMP-UHFFFAOYSA-N
XLogP3.12
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66142329
(1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine
CID 66141718
5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole
CID 103741840
5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole
CID 103990878
5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 112644779
[2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 114318408
[2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine
CID 66140699
N-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 66140310
1-[4-methoxy-2-[(3-methylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 82000208
(1R)-1-[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanol
CID 113389943
1-[2-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 63000114
(1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66139527

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole?
The IUPAC name of 1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole (CID 66142372) is 1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole.
What is the SMILES notation for 1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole?
The canonical SMILES for 1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole is CC(C)c1ccccc1OCc1cncn1C.
What is the InChIKey of 1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole?
The InChIKey is LXENZEYCJPKVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11(2)13-6-4-5-7-14(13)17-9-12-8-15-10-16(12)3/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole?
1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole has a molecular weight of 230.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole is sourced from PubChem (CID 66142372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).