2-methyl-5-(2-phenylpropyl)-3-propan-2-ylimidazol-4-amine

C16H23N3 — CID 62226150

IUPAC2-methyl-5-(2-phenylpropyl)-3-propan-2-ylimidazol-4-amine
SMILESCc1nc(CC(C)c2ccccc2)c(N)n1C(C)C
InChIInChI=1S/C16H23N3/c1-11(2)19-13(4)18-15(16(19)17)10-12(3)14-8-6-5-7-9-14/h5-9,11-12H,10,17H2,1-4H3
InChIKeyPOFHDRYRLRSHKH-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.70
Rot. Bonds4

About 2-methyl-5-(2-phenylpropyl)-3-propan-2-ylimidazol-4-amine

2-methyl-5-(2-phenylpropyl)-3-propan-2-ylimidazol-4-amine (PubChem CID 62226150) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-methyl-5-(2-phenylpropyl)-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name2-methyl-5-(2-phenylpropyl)-3-propan-2-ylimidazol-4-amine
PubChem CID62226150
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-methyl-5-(2-phenylpropyl)-3-propan-2-ylimidazol-4-amine
SMILESCc1nc(CC(C)c2ccccc2)c(N)n1C(C)C
InChIInChI=1S/C16H23N3/c1-11(2)19-13(4)18-15(16(19)17)10-12(3)14-8-6-5-7-9-14/h5-9,11-12H,10,17H2,1-4H3
InChIKeyPOFHDRYRLRSHKH-UHFFFAOYSA-N
XLogP3.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-phenylpropyl)-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 2-methyl-5-(2-phenylpropyl)-3-propan-2-ylimidazol-4-amine (CID 62226150) is 2-methyl-5-(2-phenylpropyl)-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 2-methyl-5-(2-phenylpropyl)-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 2-methyl-5-(2-phenylpropyl)-3-propan-2-ylimidazol-4-amine is Cc1nc(CC(C)c2ccccc2)c(N)n1C(C)C.
What is the InChIKey of 2-methyl-5-(2-phenylpropyl)-3-propan-2-ylimidazol-4-amine?
The InChIKey is POFHDRYRLRSHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(2)19-13(4)18-15(16(19)17)10-12(3)14-8-6-5-7-9-14/h5-9,11-12H,10,17H2,1-4H3.
What are the key properties of 2-methyl-5-(2-phenylpropyl)-3-propan-2-ylimidazol-4-amine?
2-methyl-5-(2-phenylpropyl)-3-propan-2-ylimidazol-4-amine has a molecular weight of 257.38 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-phenylpropyl)-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 62226150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).