5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine

C16H23N3 — CID 43651179

IUPAC5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
SMILESCc1ccc(-c2cnc(CCCCCN)[nH]2)c(C)c1
InChIInChI=1S/C16H23N3/c1-12-7-8-14(13(2)10-12)15-11-18-16(19-15)6-4-3-5-9-17/h7-8,10-11H,3-6,9,17H2,1-2H3,(H,18,19)
InChIKeyPWMHDGHOFVXNMP-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.37
Rot. Bonds6

About 5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine

5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine (PubChem CID 43651179) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
PubChem CID43651179
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
SMILESCc1ccc(-c2cnc(CCCCCN)[nH]2)c(C)c1
InChIInChI=1S/C16H23N3/c1-12-7-8-14(13(2)10-12)15-11-18-16(19-15)6-4-3-5-9-17/h7-8,10-11H,3-6,9,17H2,1-2H3,(H,18,19)
InChIKeyPWMHDGHOFVXNMP-UHFFFAOYSA-N
XLogP3.37
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.37
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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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine?
The IUPAC name of 5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine (CID 43651179) is 5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine.
What is the SMILES notation for 5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine?
The canonical SMILES for 5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine is Cc1ccc(-c2cnc(CCCCCN)[nH]2)c(C)c1.
What is the InChIKey of 5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine?
The InChIKey is PWMHDGHOFVXNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-7-8-14(13(2)10-12)15-11-18-16(19-15)6-4-3-5-9-17/h7-8,10-11H,3-6,9,17H2,1-2H3,(H,18,19).
What are the key properties of 5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine?
5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine is sourced from PubChem (CID 43651179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).