3-(2-methylpropyl)-2-phenyl-5-propylimidazol-4-amine

C16H23N3 — CID 62221197

IUPAC3-(2-methylpropyl)-2-phenyl-5-propylimidazol-4-amine
SMILESCCCc1nc(-c2ccccc2)n(CC(C)C)c1N
InChIInChI=1S/C16H23N3/c1-4-8-14-15(17)19(11-12(2)3)16(18-14)13-9-6-5-7-10-13/h5-7,9-10,12H,4,8,11,17H2,1-3H3
InChIKeyMRBLZCVRSBVZCN-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.74
Rot. Bonds5

About 3-(2-methylpropyl)-2-phenyl-5-propylimidazol-4-amine

3-(2-methylpropyl)-2-phenyl-5-propylimidazol-4-amine (PubChem CID 62221197) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(2-methylpropyl)-2-phenyl-5-propylimidazol-4-amine.

Molecular Properties

Compound Name3-(2-methylpropyl)-2-phenyl-5-propylimidazol-4-amine
PubChem CID62221197
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-(2-methylpropyl)-2-phenyl-5-propylimidazol-4-amine
SMILESCCCc1nc(-c2ccccc2)n(CC(C)C)c1N
InChIInChI=1S/C16H23N3/c1-4-8-14-15(17)19(11-12(2)3)16(18-14)13-9-6-5-7-10-13/h5-7,9-10,12H,4,8,11,17H2,1-3H3
InChIKeyMRBLZCVRSBVZCN-UHFFFAOYSA-N
XLogP3.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-2-phenyl-5-propylimidazol-4-amine?
The IUPAC name of 3-(2-methylpropyl)-2-phenyl-5-propylimidazol-4-amine (CID 62221197) is 3-(2-methylpropyl)-2-phenyl-5-propylimidazol-4-amine.
What is the SMILES notation for 3-(2-methylpropyl)-2-phenyl-5-propylimidazol-4-amine?
The canonical SMILES for 3-(2-methylpropyl)-2-phenyl-5-propylimidazol-4-amine is CCCc1nc(-c2ccccc2)n(CC(C)C)c1N.
What is the InChIKey of 3-(2-methylpropyl)-2-phenyl-5-propylimidazol-4-amine?
The InChIKey is MRBLZCVRSBVZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-8-14-15(17)19(11-12(2)3)16(18-14)13-9-6-5-7-10-13/h5-7,9-10,12H,4,8,11,17H2,1-3H3.
What are the key properties of 3-(2-methylpropyl)-2-phenyl-5-propylimidazol-4-amine?
3-(2-methylpropyl)-2-phenyl-5-propylimidazol-4-amine has a molecular weight of 257.38 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-2-phenyl-5-propylimidazol-4-amine is sourced from PubChem (CID 62221197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).