3-(2-methylpropyl)-5-phenylimidazol-4-amine

C13H17N3 — CID 62017938

IUPAC3-(2-methylpropyl)-5-phenylimidazol-4-amine
SMILESCC(C)Cn1cnc(-c2ccccc2)c1N
InChIInChI=1S/C13H17N3/c1-10(2)8-16-9-15-12(13(16)14)11-6-4-3-5-7-11/h3-7,9-10H,8,14H2,1-2H3
InChIKeyCMDXDCBTRXQXPE-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.79
Rot. Bonds3

About 3-(2-methylpropyl)-5-phenylimidazol-4-amine

3-(2-methylpropyl)-5-phenylimidazol-4-amine (PubChem CID 62017938) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-phenylimidazol-4-amine.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-phenylimidazol-4-amine
PubChem CID62017938
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-(2-methylpropyl)-5-phenylimidazol-4-amine
SMILESCC(C)Cn1cnc(-c2ccccc2)c1N
InChIInChI=1S/C13H17N3/c1-10(2)8-16-9-15-12(13(16)14)11-6-4-3-5-7-11/h3-7,9-10H,8,14H2,1-2H3
InChIKeyCMDXDCBTRXQXPE-UHFFFAOYSA-N
XLogP2.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-phenylimidazol-4-amine?
The IUPAC name of 3-(2-methylpropyl)-5-phenylimidazol-4-amine (CID 62017938) is 3-(2-methylpropyl)-5-phenylimidazol-4-amine.
What is the SMILES notation for 3-(2-methylpropyl)-5-phenylimidazol-4-amine?
The canonical SMILES for 3-(2-methylpropyl)-5-phenylimidazol-4-amine is CC(C)Cn1cnc(-c2ccccc2)c1N.
What is the InChIKey of 3-(2-methylpropyl)-5-phenylimidazol-4-amine?
The InChIKey is CMDXDCBTRXQXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10(2)8-16-9-15-12(13(16)14)11-6-4-3-5-7-11/h3-7,9-10H,8,14H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-5-phenylimidazol-4-amine?
3-(2-methylpropyl)-5-phenylimidazol-4-amine has a molecular weight of 215.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-phenylimidazol-4-amine is sourced from PubChem (CID 62017938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).