5-[(1R,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazol-2-amine

C16H21N3O — CID 135415849

IUPAC5-[(1R,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazol-2-amine
SMILESCOc1ccc([C@@H]2[C@@H](c3[nH]c(N)nc3C)C2(C)C)cc1
InChIInChI=1S/C16H21N3O/c1-9-14(19-15(17)18-9)13-12(16(13,2)3)10-5-7-11(20-4)8-6-10/h5-8,12-13H,1-4H3,(H3,17,18,19)/t12-,13+/m1/s1
InChIKeyKFYZUCMOXQWDPU-OLZOCXBDSA-N
MW271.36 g/mol
LogP3.22
Rot. Bonds3

About 5-[(1R,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazol-2-amine

5-[(1R,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazol-2-amine (PubChem CID 135415849) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-[(1R,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[(1R,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazol-2-amine
PubChem CID135415849
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-[(1R,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazol-2-amine
SMILESCOc1ccc([C@@H]2[C@@H](c3[nH]c(N)nc3C)C2(C)C)cc1
InChIInChI=1S/C16H21N3O/c1-9-14(19-15(17)18-9)13-12(16(13,2)3)10-5-7-11(20-4)8-6-10/h5-8,12-13H,1-4H3,(H3,17,18,19)/t12-,13+/m1/s1
InChIKeyKFYZUCMOXQWDPU-OLZOCXBDSA-N
XLogP3.22
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(1R,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-4-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]benzene
CID 22347579
8-(4-methoxyphenyl)-6,10-dimethyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
CID 137178188
(3S)-3-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine
CID 886763
(5S)-2-amino-5-(4-methoxyphenyl)-8,8-dimethyl-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinoline-4,6-dione
CID 135745619
1-[2,2-dichloro-3-(4-iodophenyl)cyclopropyl]-4-methoxybenzene
CID 134413250
3-(4-methoxyphenyl)-1,2,2-trimethylaziridine
CID 162398178
15-(4-methoxyphenyl)-1,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
CID 132569222
N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methylbenzamide
CID 68581834
2,2-diethyl-3-(4-methoxyphenyl)-4-methylcyclobutan-1-ol
CID 81422138
ethane;1-methoxy-4-(2,2,3-trimethylcyclopentyl)benzene
CID 143890955
1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
CID 18414650
(6S,7R)-1-amino-10-(4-methoxyphenyl)-7-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-1-ene-4,8-dione
CID 137326957

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazol-2-amine?
The IUPAC name of 5-[(1R,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazol-2-amine (CID 135415849) is 5-[(1R,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazol-2-amine.
What is the SMILES notation for 5-[(1R,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazol-2-amine?
The canonical SMILES for 5-[(1R,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazol-2-amine is COc1ccc([C@@H]2[C@@H](c3[nH]c(N)nc3C)C2(C)C)cc1.
What is the InChIKey of 5-[(1R,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazol-2-amine?
The InChIKey is KFYZUCMOXQWDPU-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H21N3O/c1-9-14(19-15(17)18-9)13-12(16(13,2)3)10-5-7-11(20-4)8-6-10/h5-8,12-13H,1-4H3,(H3,17,18,19)/t12-,13+/m1/s1.
What are the key properties of 5-[(1R,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazol-2-amine?
5-[(1R,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazol-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methyl-1H-imidazol-2-amine is sourced from PubChem (CID 135415849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).