5-[(4-methoxyphenyl)methyl]-5-methyl-1-propyl-4H-imidazol-2-amine

C15H23N3O — CID 79509403

IUPAC5-[(4-methoxyphenyl)methyl]-5-methyl-1-propyl-4H-imidazol-2-amine
SMILESCCCN1C(N)=NCC1(C)Cc1ccc(OC)cc1
InChIInChI=1S/C15H23N3O/c1-4-9-18-14(16)17-11-15(18,2)10-12-5-7-13(19-3)8-6-12/h5-8H,4,9-11H2,1-3H3,(H2,16,17)
InChIKeyXVHNUAYMDJQHSF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.04
Rot. Bonds5

About 5-[(4-methoxyphenyl)methyl]-5-methyl-1-propyl-4H-imidazol-2-amine

5-[(4-methoxyphenyl)methyl]-5-methyl-1-propyl-4H-imidazol-2-amine (PubChem CID 79509403) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-5-methyl-1-propyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-5-methyl-1-propyl-4H-imidazol-2-amine
PubChem CID79509403
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-[(4-methoxyphenyl)methyl]-5-methyl-1-propyl-4H-imidazol-2-amine
SMILESCCCN1C(N)=NCC1(C)Cc1ccc(OC)cc1
InChIInChI=1S/C15H23N3O/c1-4-9-18-14(16)17-11-15(18,2)10-12-5-7-13(19-3)8-6-12/h5-8H,4,9-11H2,1-3H3,(H2,16,17)
InChIKeyXVHNUAYMDJQHSF-UHFFFAOYSA-N
XLogP2.04
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((4-Methoxyphenyl)methyl)-N',N''-dimethylguanidine
CID 42765
2-[(4-Methoxyphenyl)methyl]-1-(3-pyrrolidin-1-ylpropyl)guanidine
CID 9840329
5-[(7-methoxy-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole
CID 15463613
N-(2-(p-methoxyphenyl)ethyl)-N-ethyl-2-(1-pyrrolidinyl)ethylamine
CID 24849100
[2-(4-Methoxy-phenyl)-ethyl]-methyl-(2-pyrrolidin-1-yl-ethyl)-amine
CID 10587586
(3S,6S)-7-(3-cyclohexylpropyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole
CID 10893958
4-[[(4R)-2-amino-3-(2,2-dimethylpropyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16682607
(3S,6S)-3-cyclohexyl-6-[(4-methoxyphenyl)methyl]-7-[(4-methylcyclohexyl)methyl]-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole
CID 44348604
(3R,6R)-3-cyclohexyl-6-[(4-methoxyphenyl)methyl]-7-[(4-methylcyclohexyl)methyl]-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole
CID 44348653
(3R,6S)-3-cyclohexyl-6-[(4-methoxyphenyl)methyl]-7-[(4-methylcyclohexyl)methyl]-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole
CID 44348661
(3S,6R)-7-(3-cyclohexylpropyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole
CID 44348877
(3R,6R)-3-cyclohexyl-7-(3-cyclohexylpropyl)-6-[(4-methoxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole
CID 44348885

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-5-methyl-1-propyl-4H-imidazol-2-amine?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-5-methyl-1-propyl-4H-imidazol-2-amine (CID 79509403) is 5-[(4-methoxyphenyl)methyl]-5-methyl-1-propyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-5-methyl-1-propyl-4H-imidazol-2-amine?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-5-methyl-1-propyl-4H-imidazol-2-amine is CCCN1C(N)=NCC1(C)Cc1ccc(OC)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-5-methyl-1-propyl-4H-imidazol-2-amine?
The InChIKey is XVHNUAYMDJQHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-9-18-14(16)17-11-15(18,2)10-12-5-7-13(19-3)8-6-12/h5-8H,4,9-11H2,1-3H3,(H2,16,17).
What are the key properties of 5-[(4-methoxyphenyl)methyl]-5-methyl-1-propyl-4H-imidazol-2-amine?
5-[(4-methoxyphenyl)methyl]-5-methyl-1-propyl-4H-imidazol-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-5-methyl-1-propyl-4H-imidazol-2-amine is sourced from PubChem (CID 79509403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).