1-cyclopropyl-5-(2,5-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine

C15H21N3O2 — CID 79509754

IUPAC1-cyclopropyl-5-(2,5-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine
SMILESCOc1ccc(OC)c(C2(C)CN=C(N)N2C2CC2)c1
InChIInChI=1S/C15H21N3O2/c1-15(9-17-14(16)18(15)10-4-5-10)12-8-11(19-2)6-7-13(12)20-3/h6-8,10H,4-5,9H2,1-3H3,(H2,16,17)
InChIKeyNJQNXVBGCNWOPP-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.71
Rot. Bonds4

About 1-cyclopropyl-5-(2,5-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine

1-cyclopropyl-5-(2,5-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine (PubChem CID 79509754) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-cyclopropyl-5-(2,5-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-5-(2,5-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine
PubChem CID79509754
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-cyclopropyl-5-(2,5-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine
SMILESCOc1ccc(OC)c(C2(C)CN=C(N)N2C2CC2)c1
InChIInChI=1S/C15H21N3O2/c1-15(9-17-14(16)18(15)10-4-5-10)12-8-11(19-2)6-7-13(12)20-3/h6-8,10H,4-5,9H2,1-3H3,(H2,16,17)
InChIKeyNJQNXVBGCNWOPP-UHFFFAOYSA-N
XLogP1.71
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(2,5-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 1-cyclopropyl-5-(2,5-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine (CID 79509754) is 1-cyclopropyl-5-(2,5-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 1-cyclopropyl-5-(2,5-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 1-cyclopropyl-5-(2,5-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine is COc1ccc(OC)c(C2(C)CN=C(N)N2C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-5-(2,5-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine?
The InChIKey is NJQNXVBGCNWOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(9-17-14(16)18(15)10-4-5-10)12-8-11(19-2)6-7-13(12)20-3/h6-8,10H,4-5,9H2,1-3H3,(H2,16,17).
What are the key properties of 1-cyclopropyl-5-(2,5-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine?
1-cyclopropyl-5-(2,5-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine has a molecular weight of 275.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(2,5-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79509754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).