5-(2,3-dimethylphenyl)-3-(2-methylpropyl)imidazol-4-amine

C15H21N3 — CID 62019250

IUPAC5-(2,3-dimethylphenyl)-3-(2-methylpropyl)imidazol-4-amine
SMILESCc1cccc(-c2ncn(CC(C)C)c2N)c1C
InChIInChI=1S/C15H21N3/c1-10(2)8-18-9-17-14(15(18)16)13-7-5-6-11(3)12(13)4/h5-7,9-10H,8,16H2,1-4H3
InChIKeyJLBSCRYUZKBMLB-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.41
Rot. Bonds3

About 5-(2,3-dimethylphenyl)-3-(2-methylpropyl)imidazol-4-amine

5-(2,3-dimethylphenyl)-3-(2-methylpropyl)imidazol-4-amine (PubChem CID 62019250) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-(2,3-dimethylphenyl)-3-(2-methylpropyl)imidazol-4-amine.

Molecular Properties

Compound Name5-(2,3-dimethylphenyl)-3-(2-methylpropyl)imidazol-4-amine
PubChem CID62019250
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name5-(2,3-dimethylphenyl)-3-(2-methylpropyl)imidazol-4-amine
SMILESCc1cccc(-c2ncn(CC(C)C)c2N)c1C
InChIInChI=1S/C15H21N3/c1-10(2)8-18-9-17-14(15(18)16)13-7-5-6-11(3)12(13)4/h5-7,9-10H,8,16H2,1-4H3
InChIKeyJLBSCRYUZKBMLB-UHFFFAOYSA-N
XLogP3.41
TPSA43.84 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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylphenyl)-3-(2-methylpropyl)imidazol-4-amine?
The IUPAC name of 5-(2,3-dimethylphenyl)-3-(2-methylpropyl)imidazol-4-amine (CID 62019250) is 5-(2,3-dimethylphenyl)-3-(2-methylpropyl)imidazol-4-amine.
What is the SMILES notation for 5-(2,3-dimethylphenyl)-3-(2-methylpropyl)imidazol-4-amine?
The canonical SMILES for 5-(2,3-dimethylphenyl)-3-(2-methylpropyl)imidazol-4-amine is Cc1cccc(-c2ncn(CC(C)C)c2N)c1C.
What is the InChIKey of 5-(2,3-dimethylphenyl)-3-(2-methylpropyl)imidazol-4-amine?
The InChIKey is JLBSCRYUZKBMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10(2)8-18-9-17-14(15(18)16)13-7-5-6-11(3)12(13)4/h5-7,9-10H,8,16H2,1-4H3.
What are the key properties of 5-(2,3-dimethylphenyl)-3-(2-methylpropyl)imidazol-4-amine?
5-(2,3-dimethylphenyl)-3-(2-methylpropyl)imidazol-4-amine has a molecular weight of 243.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylphenyl)-3-(2-methylpropyl)imidazol-4-amine is sourced from PubChem (CID 62019250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).