4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine

C12H15N3O — CID 56952443

IUPAC4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine
SMILESCOc1ccc(Cc2cn(C)c(N)n2)cc1
InChIInChI=1S/C12H15N3O/c1-15-8-10(14-12(15)13)7-9-3-5-11(16-2)6-4-9/h3-6,8H,7H2,1-2H3,(H2,13,14)
InChIKeyMBKNUGHNUAZJRW-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.60
Rot. Bonds3

About 4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine

4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine (PubChem CID 56952443) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine
PubChem CID56952443
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine
SMILESCOc1ccc(Cc2cn(C)c(N)n2)cc1
InChIInChI=1S/C12H15N3O/c1-15-8-10(14-12(15)13)7-9-3-5-11(16-2)6-4-9/h3-6,8H,7H2,1-2H3,(H2,13,14)
InChIKeyMBKNUGHNUAZJRW-UHFFFAOYSA-N
XLogP1.60
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ucl-1390
CID 6421295
4-(4-methoxyphenyl)-1H-imidazole
CID 3792851
1-(6-Methoxy-3,4-dihydronaphthalen-2-yl)-1H-imidazole
CID 3021561
4-[3-(4-Ethynyl-phenoxy)-propyl]-1H-imidazole
CID 10082417
5-(4-methoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 1132944
5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1H-imidazole
CID 6539900
1H-Imidazole, 4-((3,4-dihydro-6-methoxy-1-methyl-2-naphthalenyl)methyl)-
CID 10467502
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
1-(4-Methoxybenzyl)-5-phenyl-1H-imidazole
CID 45103811
(3-Methoxy-benzyl)-(1-methyl-5-phenyl-1H-imidazol-2-yl)-amine
CID 1096451
1-[5-(4-ethylphenoxy)pentyl]-1H-imidazole
CID 2852313

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine (CID 56952443) is 4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine is COc1ccc(Cc2cn(C)c(N)n2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine?
The InChIKey is MBKNUGHNUAZJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-8-10(14-12(15)13)7-9-3-5-11(16-2)6-4-9/h3-6,8H,7H2,1-2H3,(H2,13,14).
What are the key properties of 4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine?
4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine has a molecular weight of 217.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine is sourced from PubChem (CID 56952443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).