5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole

C13H16N2O — CID 166267490

IUPAC5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole
SMILESCOc1cccc(-c2cnc(C(C)C)[nH]2)c1
InChIInChI=1S/C13H16N2O/c1-9(2)13-14-8-12(15-13)10-5-4-6-11(7-10)16-3/h4-9H,1-3H3,(H,14,15)
InChIKeyUXYKTMGCMVPIQY-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.21
Rot. Bonds3

About 5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole

5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole (PubChem CID 166267490) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole
PubChem CID166267490
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole
SMILESCOc1cccc(-c2cnc(C(C)C)[nH]2)c1
InChIInChI=1S/C13H16N2O/c1-9(2)13-14-8-12(15-13)10-5-4-6-11(7-10)16-3/h4-9H,1-3H3,(H,14,15)
InChIKeyUXYKTMGCMVPIQY-UHFFFAOYSA-N
XLogP3.21
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881507
2-chloro-N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethyl]acetamide;hydrochloride
CID 146085855
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 65230758
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethanethiol
CID 116879358
[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-(3-methylthiophen-2-yl)methanol
CID 155902159
(3-chloro-5-fluorophenyl)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 46943479
3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851877
molecular hydrogen;3-(2-propan-2-yl-1H-imidazol-5-yl)pyridine
CID 144904418
2-(1H-imidazol-2-yl)-5-(3-methoxyphenyl)-1H-imidazole
CID 19696853
6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651783
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride
CID 72716189
4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine
CID 61030336

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole?
The IUPAC name of 5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole (CID 166267490) is 5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole.
What is the SMILES notation for 5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole?
The canonical SMILES for 5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole is COc1cccc(-c2cnc(C(C)C)[nH]2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole?
The InChIKey is UXYKTMGCMVPIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(2)13-14-8-12(15-13)10-5-4-6-11(7-10)16-3/h4-9H,1-3H3,(H,14,15).
What are the key properties of 5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole?
5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole has a molecular weight of 216.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole is sourced from PubChem (CID 166267490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).