5-[(2-chloro-6-ethylphenyl)methyl]-1H-imidazole

C12H13ClN2 — CID 24738219

IUPAC5-[(2-chloro-6-ethylphenyl)methyl]-1H-imidazole
SMILESCCc1cccc(Cl)c1Cc1cnc[nH]1
InChIInChI=1S/C12H13ClN2/c1-2-9-4-3-5-12(13)11(9)6-10-7-14-8-15-10/h3-5,7-8H,2,6H2,1H3,(H,14,15)
InChIKeyUCHBEAKKNVDHCS-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.22
Rot. Bonds3

About 5-[(2-chloro-6-ethylphenyl)methyl]-1H-imidazole

5-[(2-chloro-6-ethylphenyl)methyl]-1H-imidazole (PubChem CID 24738219) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 5-[(2-chloro-6-ethylphenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(2-chloro-6-ethylphenyl)methyl]-1H-imidazole
PubChem CID24738219
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name5-[(2-chloro-6-ethylphenyl)methyl]-1H-imidazole
SMILESCCc1cccc(Cl)c1Cc1cnc[nH]1
InChIInChI=1S/C12H13ClN2/c1-2-9-4-3-5-12(13)11(9)6-10-7-14-8-15-10/h3-5,7-8H,2,6H2,1H3,(H,14,15)
InChIKeyUCHBEAKKNVDHCS-UHFFFAOYSA-N
XLogP3.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 13178302
N-(2,6-diethylphenyl)-2-(1H-imidazol-5-yl)acetamide
CID 110684155
(2-chloro-6-ethylphenyl)-(1H-imidazol-5-yl)methanol
CID 58951912
5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride
CID 71315842
N-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)-N-propan-2-ylacetamide
CID 46990687
5-[(2,6-diethyl-4-phenylmethoxyphenyl)methyl]-1H-imidazole;5-[(3-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(4-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-fluorophenyl)methyl]-1H-imidazole
CID 159896475
1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine
CID 62761568
1-bromo-3-(2-chloro-6-ethylphenyl)propan-2-one
CID 134616253
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 115645178
2-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine;hydrochloride
CID 115607686
5-[4-(2,6-dichlorophenyl)but-1-enyl]-1H-imidazole
CID 54549887
N-(2,6-diethylphenyl)-1H-imidazole-5-carboxamide
CID 110684342

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-ethylphenyl)methyl]-1H-imidazole?
The IUPAC name of 5-[(2-chloro-6-ethylphenyl)methyl]-1H-imidazole (CID 24738219) is 5-[(2-chloro-6-ethylphenyl)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(2-chloro-6-ethylphenyl)methyl]-1H-imidazole?
The canonical SMILES for 5-[(2-chloro-6-ethylphenyl)methyl]-1H-imidazole is CCc1cccc(Cl)c1Cc1cnc[nH]1.
What is the InChIKey of 5-[(2-chloro-6-ethylphenyl)methyl]-1H-imidazole?
The InChIKey is UCHBEAKKNVDHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-2-9-4-3-5-12(13)11(9)6-10-7-14-8-15-10/h3-5,7-8H,2,6H2,1H3,(H,14,15).
What are the key properties of 5-[(2-chloro-6-ethylphenyl)methyl]-1H-imidazole?
5-[(2-chloro-6-ethylphenyl)methyl]-1H-imidazole has a molecular weight of 220.70 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-ethylphenyl)methyl]-1H-imidazole is sourced from PubChem (CID 24738219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).