5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine

C15H21N3 — CID 79505259

IUPAC5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine
SMILESCCC1(C2CC2)CN=C(N)N1c1ccccc1C
InChIInChI=1S/C15H21N3/c1-3-15(12-8-9-12)10-17-14(16)18(15)13-7-5-4-6-11(13)2/h4-7,12H,3,8-10H2,1-2H3,(H2,16,17)
InChIKeyMRTXDSGBZPOUDP-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.69
Rot. Bonds3

About 5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine

5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine (PubChem CID 79505259) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine
PubChem CID79505259
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine
SMILESCCC1(C2CC2)CN=C(N)N1c1ccccc1C
InChIInChI=1S/C15H21N3/c1-3-15(12-8-9-12)10-17-14(16)18(15)13-7-5-4-6-11(13)2/h4-7,12H,3,8-10H2,1-2H3,(H2,16,17)
InChIKeyMRTXDSGBZPOUDP-UHFFFAOYSA-N
XLogP2.69
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine?
The IUPAC name of 5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine (CID 79505259) is 5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine is CCC1(C2CC2)CN=C(N)N1c1ccccc1C.
What is the InChIKey of 5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine?
The InChIKey is MRTXDSGBZPOUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-15(12-8-9-12)10-17-14(16)18(15)13-7-5-4-6-11(13)2/h4-7,12H,3,8-10H2,1-2H3,(H2,16,17).
What are the key properties of 5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine?
5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79505259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).