5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole

C14H18N2 — CID 10420802

IUPAC5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole
SMILESCc1cccc(C)c1CCCc1cnc[nH]1
InChIInChI=1S/C14H18N2/c1-11-5-3-6-12(2)14(11)8-4-7-13-9-15-10-16-13/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,15,16)
InChIKeyNPVDPMRUFSYENV-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.20
Rot. Bonds4

About 5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole

5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole (PubChem CID 10420802) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole
PubChem CID10420802
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole
SMILESCc1cccc(C)c1CCCc1cnc[nH]1
InChIInChI=1S/C14H18N2/c1-11-5-3-6-12(2)14(11)8-4-7-13-9-15-10-16-13/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,15,16)
InChIKeyNPVDPMRUFSYENV-UHFFFAOYSA-N
XLogP3.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-phenylpropyl)-1H-imidazole
CID 10035345
5-hexyl-1H-imidazole
CID 14225142
5-[3,3-bis(2-methylphenyl)propyl]-1H-imidazole;hydrochloride
CID 14535975
5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride
CID 71315842
3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
CID 19776442
4-(1H-imidazol-5-yl)butan-1-amine
CID 13499360
5-[4,4-bis(4-methylphenyl)butyl]-1H-imidazole
CID 10780854
N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline
CID 13178310
2-[5-(2,6-dimethylphenyl)pentyl]-1,3-dimethylbenzene
CID 22921267
N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide
CID 113258424
5-(2-methylsulfanylethyl)-1H-imidazole
CID 141211352
5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole
CID 69024759

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole?
The IUPAC name of 5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole (CID 10420802) is 5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole?
The canonical SMILES for 5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole is Cc1cccc(C)c1CCCc1cnc[nH]1.
What is the InChIKey of 5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole?
The InChIKey is NPVDPMRUFSYENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-5-3-6-12(2)14(11)8-4-7-13-9-15-10-16-13/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,15,16).
What are the key properties of 5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole?
5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole has a molecular weight of 214.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole is sourced from PubChem (CID 10420802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).