4-[1-(2,3-dimethylphenyl)ethyl]-1-methylimidazole

C14H18N2 — CID 134093732

IUPAC4-[1-(2,3-dimethylphenyl)ethyl]-1-methylimidazole
SMILESCc1cccc(C(C)c2cn(C)cn2)c1C
InChIInChI=1S/C14H18N2/c1-10-6-5-7-13(11(10)2)12(3)14-8-16(4)9-15-14/h5-9,12H,1-4H3
InChIKeyWHRVPTNZNAEMTJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.19
Rot. Bonds2

About 4-[1-(2,3-dimethylphenyl)ethyl]-1-methylimidazole

4-[1-(2,3-dimethylphenyl)ethyl]-1-methylimidazole (PubChem CID 134093732) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[1-(2,3-dimethylphenyl)ethyl]-1-methylimidazole.

Molecular Properties

Compound Name4-[1-(2,3-dimethylphenyl)ethyl]-1-methylimidazole
PubChem CID134093732
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-[1-(2,3-dimethylphenyl)ethyl]-1-methylimidazole
SMILESCc1cccc(C(C)c2cn(C)cn2)c1C
InChIInChI=1S/C14H18N2/c1-10-6-5-7-13(11(10)2)12(3)14-8-16(4)9-15-14/h5-9,12H,1-4H3
InChIKeyWHRVPTNZNAEMTJ-UHFFFAOYSA-N
XLogP3.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethylphenyl)-(1-methylimidazol-4-yl)methanol
CID 107978292
[4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl ethyl carbonate
CID 171346206
[4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl prop-2-enoate
CID 171749273
[4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl propan-2-yl carbonate;hydrochloride
CID 171352951
[4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl benzoate;hydrochloride
CID 171354375
(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol
CID 107978391
tert-butyl N-[(2S)-1-[4-[1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 123434799
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
(1S)-1-(1-methylimidazol-4-yl)ethanamine
CID 96637865
(2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine
CID 107977950
4-(2-fluoro-3-propan-2-ylphenyl)-1-methylimidazole
CID 146634880
1-(1-methylimidazol-4-yl)propane-1,2-diol
CID 130508965

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3-dimethylphenyl)ethyl]-1-methylimidazole?
The IUPAC name of 4-[1-(2,3-dimethylphenyl)ethyl]-1-methylimidazole (CID 134093732) is 4-[1-(2,3-dimethylphenyl)ethyl]-1-methylimidazole.
What is the SMILES notation for 4-[1-(2,3-dimethylphenyl)ethyl]-1-methylimidazole?
The canonical SMILES for 4-[1-(2,3-dimethylphenyl)ethyl]-1-methylimidazole is Cc1cccc(C(C)c2cn(C)cn2)c1C.
What is the InChIKey of 4-[1-(2,3-dimethylphenyl)ethyl]-1-methylimidazole?
The InChIKey is WHRVPTNZNAEMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-6-5-7-13(11(10)2)12(3)14-8-16(4)9-15-14/h5-9,12H,1-4H3.
What are the key properties of 4-[1-(2,3-dimethylphenyl)ethyl]-1-methylimidazole?
4-[1-(2,3-dimethylphenyl)ethyl]-1-methylimidazole has a molecular weight of 214.31 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3-dimethylphenyl)ethyl]-1-methylimidazole is sourced from PubChem (CID 134093732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).