1-(3,4-dimethoxy-5-propan-2-ylphenyl)imidazol-4-amine

C14H19N3O2 — CID 163422541

IUPAC1-(3,4-dimethoxy-5-propan-2-ylphenyl)imidazol-4-amine
SMILESCOc1cc(-n2cnc(N)c2)cc(C(C)C)c1OC
InChIInChI=1S/C14H19N3O2/c1-9(2)11-5-10(17-7-13(15)16-8-17)6-12(18-3)14(11)19-4/h5-9H,15H2,1-4H3
InChIKeyAJRGLMFGBZQKPX-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.60
Rot. Bonds4

About 1-(3,4-dimethoxy-5-propan-2-ylphenyl)imidazol-4-amine

1-(3,4-dimethoxy-5-propan-2-ylphenyl)imidazol-4-amine (PubChem CID 163422541) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(3,4-dimethoxy-5-propan-2-ylphenyl)imidazol-4-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxy-5-propan-2-ylphenyl)imidazol-4-amine
PubChem CID163422541
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(3,4-dimethoxy-5-propan-2-ylphenyl)imidazol-4-amine
SMILESCOc1cc(-n2cnc(N)c2)cc(C(C)C)c1OC
InChIInChI=1S/C14H19N3O2/c1-9(2)11-5-10(17-7-13(15)16-8-17)6-12(18-3)14(11)19-4/h5-9H,15H2,1-4H3
InChIKeyAJRGLMFGBZQKPX-UHFFFAOYSA-N
XLogP2.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole
CID 147782659
2-N,2-N-bis[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]naphthalene-2,7-diamine
CID 175784810
N-bromo-1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-amine
CID 163513532
3-methyl-1-(3,4,5-trimethoxyphenyl)pyrazol-4-amine
CID 84617710
2-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 172791028
3-chloroisoquinoline;N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]isoquinolin-3-amine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167607094
1-[3-amino-5-(4-aminoimidazol-1-yl)-2-methoxyphenyl]-3-cyclopropylpropan-1-one
CID 167705917
(1S)-1-[1-(4-chloro-3-methoxyphenyl)imidazol-4-yl]ethanamine
CID 130469639
2-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;hydrochloride
CID 170775798
2-chloro-7-propan-2-yloxy-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-5-amine
CID 166003480
1-ethyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775935
1-[4-methoxy-3,5-di(propan-2-yl)phenyl]pyrrolidine
CID 168513361

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxy-5-propan-2-ylphenyl)imidazol-4-amine?
The IUPAC name of 1-(3,4-dimethoxy-5-propan-2-ylphenyl)imidazol-4-amine (CID 163422541) is 1-(3,4-dimethoxy-5-propan-2-ylphenyl)imidazol-4-amine.
What is the SMILES notation for 1-(3,4-dimethoxy-5-propan-2-ylphenyl)imidazol-4-amine?
The canonical SMILES for 1-(3,4-dimethoxy-5-propan-2-ylphenyl)imidazol-4-amine is COc1cc(-n2cnc(N)c2)cc(C(C)C)c1OC.
What is the InChIKey of 1-(3,4-dimethoxy-5-propan-2-ylphenyl)imidazol-4-amine?
The InChIKey is AJRGLMFGBZQKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(2)11-5-10(17-7-13(15)16-8-17)6-12(18-3)14(11)19-4/h5-9H,15H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxy-5-propan-2-ylphenyl)imidazol-4-amine?
1-(3,4-dimethoxy-5-propan-2-ylphenyl)imidazol-4-amine has a molecular weight of 261.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxy-5-propan-2-ylphenyl)imidazol-4-amine is sourced from PubChem (CID 163422541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).