3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine

C17H25N3 — CID 60851712

IUPAC3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCc1ccc(-c2cnc(CCCNC(C)C)[nH]2)c(C)c1
InChIInChI=1S/C17H25N3/c1-12(2)18-9-5-6-17-19-11-16(20-17)15-8-7-13(3)10-14(15)4/h7-8,10-12,18H,5-6,9H2,1-4H3,(H,19,20)
InChIKeyZPWWBZXKGSYCQM-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.62
Rot. Bonds6

About 3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine

3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 60851712) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
PubChem CID60851712
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCc1ccc(-c2cnc(CCCNC(C)C)[nH]2)c(C)c1
InChIInChI=1S/C17H25N3/c1-12(2)18-9-5-6-17-19-11-16(20-17)15-8-7-13(3)10-14(15)4/h7-8,10-12,18H,5-6,9H2,1-4H3,(H,19,20)
InChIKeyZPWWBZXKGSYCQM-UHFFFAOYSA-N
XLogP3.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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4-Phenylimidazole
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine (CID 60851712) is 3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine is Cc1ccc(-c2cnc(CCCNC(C)C)[nH]2)c(C)c1.
What is the InChIKey of 3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is ZPWWBZXKGSYCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12(2)18-9-5-6-17-19-11-16(20-17)15-8-7-13(3)10-14(15)4/h7-8,10-12,18H,5-6,9H2,1-4H3,(H,19,20).
What are the key properties of 3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine?
3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 60851712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).