2-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazole

C13H15ClN2O — CID 116884410

IUPAC2-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazole
SMILESCOc1cc(C(C)C)ccc1-c1cnc(Cl)[nH]1
InChIInChI=1S/C13H15ClN2O/c1-8(2)9-4-5-10(12(6-9)17-3)11-7-15-13(14)16-11/h4-8H,1-3H3,(H,15,16)
InChIKeyJBRHJAICEKDDEF-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.86
Rot. Bonds3

About 2-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazole

2-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazole (PubChem CID 116884410) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazole
PubChem CID116884410
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazole
SMILESCOc1cc(C(C)C)ccc1-c1cnc(Cl)[nH]1
InChIInChI=1S/C13H15ClN2O/c1-8(2)9-4-5-10(12(6-9)17-3)11-7-15-13(14)16-11/h4-8H,1-3H3,(H,15,16)
InChIKeyJBRHJAICEKDDEF-UHFFFAOYSA-N
XLogP3.86
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazol-2-yl]methanol
CID 116878297
2-chloro-5-(5-chloro-4-methoxy-2-methylphenyl)-1H-imidazole
CID 116884397
[5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazol-2-yl]hydrazine
CID 116884097
3-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1,2-thiazole
CID 67807977
5-(2-methoxy-4-propan-2-ylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828140
5-[2-[4-(2-amino-1H-imidazol-5-yl)-3-methoxyphenyl]ethyl]-N-(4-propan-2-ylphenyl)sulfanylpyridin-2-amine
CID 177349036
1-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43649844
2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 95467419
N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60853832
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
[5-(2-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82295318
4-methoxy-6-propan-2-ylazulene
CID 56627743

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazole?
The IUPAC name of 2-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazole (CID 116884410) is 2-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazole.
What is the SMILES notation for 2-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazole?
The canonical SMILES for 2-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazole is COc1cc(C(C)C)ccc1-c1cnc(Cl)[nH]1.
What is the InChIKey of 2-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazole?
The InChIKey is JBRHJAICEKDDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-8(2)9-4-5-10(12(6-9)17-3)11-7-15-13(14)16-11/h4-8H,1-3H3,(H,15,16).
What are the key properties of 2-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazole?
2-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazole has a molecular weight of 250.73 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazole is sourced from PubChem (CID 116884410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).