1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole

C13H15ClN2O — CID 115624836

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole
SMILESCOc1ccc(Cl)cc1Cn1cnc(C)c1C
InChIInChI=1S/C13H15ClN2O/c1-9-10(2)16(8-15-9)7-11-6-12(14)4-5-13(11)17-3/h4-6,8H,7H2,1-3H3
InChIKeyRBZKXSSYPNZSOZ-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.21
Rot. Bonds3

About 1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole

1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole (PubChem CID 115624836) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole
PubChem CID115624836
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole
SMILESCOc1ccc(Cl)cc1Cn1cnc(C)c1C
InChIInChI=1S/C13H15ClN2O/c1-9-10(2)16(8-15-9)7-11-6-12(14)4-5-13(11)17-3/h4-6,8H,7H2,1-3H3
InChIKeyRBZKXSSYPNZSOZ-UHFFFAOYSA-N
XLogP3.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[(4,5-dimethylimidazol-1-yl)methyl]aniline
CID 62352131
[1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol
CID 43647441
[1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647581
1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde
CID 43647283
1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one
CID 113226508
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxylic acid
CID 114189469
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
3-[(5-amino-2-methoxyphenyl)methyl]-5-bromo-6-methylpyrimidin-4-one
CID 66309802
3-[(5-amino-2-methoxyphenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66308455
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62223776
3-[(5-ethyl-2-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid
CID 82306920
3-[(5-iodo-4-methyl-6-oxopyrimidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 66342227

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole (CID 115624836) is 1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole is COc1ccc(Cl)cc1Cn1cnc(C)c1C.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole?
The InChIKey is RBZKXSSYPNZSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9-10(2)16(8-15-9)7-11-6-12(14)4-5-13(11)17-3/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole?
1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole has a molecular weight of 250.73 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole is sourced from PubChem (CID 115624836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).