1-[3-(3,4-dimethoxyphenyl)propyl]imidazole

C14H18N2O2 — CID 69084097

IUPAC1-[3-(3,4-dimethoxyphenyl)propyl]imidazole
SMILESCOc1ccc(CCCn2ccnc2)cc1OC
InChIInChI=1S/C14H18N2O2/c1-17-13-6-5-12(10-14(13)18-2)4-3-8-16-9-7-15-11-16/h5-7,9-11H,3-4,8H2,1-2H3
InChIKeyDAZIJDULZSDPAI-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.53
Rot. Bonds6

About 1-[3-(3,4-dimethoxyphenyl)propyl]imidazole

1-[3-(3,4-dimethoxyphenyl)propyl]imidazole (PubChem CID 69084097) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[3-(3,4-dimethoxyphenyl)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(3,4-dimethoxyphenyl)propyl]imidazole
PubChem CID69084097
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[3-(3,4-dimethoxyphenyl)propyl]imidazole
SMILESCOc1ccc(CCCn2ccnc2)cc1OC
InChIInChI=1S/C14H18N2O2/c1-17-13-6-5-12(10-14(13)18-2)4-3-8-16-9-7-15-11-16/h5-7,9-11H,3-4,8H2,1-2H3
InChIKeyDAZIJDULZSDPAI-UHFFFAOYSA-N
XLogP2.53
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-imidazol-1-ylpropyl)guanidine;hydroiodide
CID 111023429
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 111213512
N-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine
CID 61494612
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(3-imidazol-1-ylpropyl)guanidine;hydroiodide
CID 111215192
4-[[4-(3-imidazol-1-ylpropyl)-2-methoxyphenoxy]methyl]-2-(5-methylthiophen-2-yl)-1,3-oxazole
CID 22009601
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-(3-imidazol-1-ylpropyl)guanidine;hydroiodide
CID 111202917
3-imidazol-1-yl-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]propan-1-amine;hydrochloride
CID 17156431
3-imidazol-1-yl-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]propan-1-amine
CID 54848745
N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide
CID 11558534
3-imidazol-1-yl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 54848716
4-(3-imidazol-1-ylpropoxy)-3-methoxybenzoic acid
CID 61494840
3-imidazol-1-yl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17156153

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethoxyphenyl)propyl]imidazole?
The IUPAC name of 1-[3-(3,4-dimethoxyphenyl)propyl]imidazole (CID 69084097) is 1-[3-(3,4-dimethoxyphenyl)propyl]imidazole.
What is the SMILES notation for 1-[3-(3,4-dimethoxyphenyl)propyl]imidazole?
The canonical SMILES for 1-[3-(3,4-dimethoxyphenyl)propyl]imidazole is COc1ccc(CCCn2ccnc2)cc1OC.
What is the InChIKey of 1-[3-(3,4-dimethoxyphenyl)propyl]imidazole?
The InChIKey is DAZIJDULZSDPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-17-13-6-5-12(10-14(13)18-2)4-3-8-16-9-7-15-11-16/h5-7,9-11H,3-4,8H2,1-2H3.
What are the key properties of 1-[3-(3,4-dimethoxyphenyl)propyl]imidazole?
1-[3-(3,4-dimethoxyphenyl)propyl]imidazole has a molecular weight of 246.31 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethoxyphenyl)propyl]imidazole is sourced from PubChem (CID 69084097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).