1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine

C16H23N3O2 — CID 43651303

IUPAC1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
SMILESCOc1ccc(-c2cnc(C(N)CC(C)C)[nH]2)cc1OC
InChIInChI=1S/C16H23N3O2/c1-10(2)7-12(17)16-18-9-13(19-16)11-5-6-14(20-3)15(8-11)21-4/h5-6,8-10,12H,7,17H2,1-4H3,(H,18,19)
InChIKeyQELTXFNXBXEPKA-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.14
Rot. Bonds6

About 1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine

1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine (PubChem CID 43651303) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
PubChem CID43651303
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
SMILESCOc1ccc(-c2cnc(C(N)CC(C)C)[nH]2)cc1OC
InChIInChI=1S/C16H23N3O2/c1-10(2)7-12(17)16-18-9-13(19-16)11-5-6-14(20-3)15(8-11)21-4/h5-6,8-10,12H,7,17H2,1-4H3,(H,18,19)
InChIKeyQELTXFNXBXEPKA-UHFFFAOYSA-N
XLogP3.14
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 43651267
2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876636
2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 65233281
(1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199339
1-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
CID 62476987
1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 82970486
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride
CID 72716189
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline
CID 115030164
cyclohexyl-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 67214797
1-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43649844
2-[5-(3-ethyl-4-methoxyphenyl)-1H-imidazol-2-yl]butanenitrile
CID 116883145

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine (CID 43651303) is 1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine is COc1ccc(-c2cnc(C(N)CC(C)C)[nH]2)cc1OC.
What is the InChIKey of 1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The InChIKey is QELTXFNXBXEPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)7-12(17)16-18-9-13(19-16)11-5-6-14(20-3)15(8-11)21-4/h5-6,8-10,12H,7,17H2,1-4H3,(H,18,19).
What are the key properties of 1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 43651303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).