4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine

C16H23N3 — CID 106572165

IUPAC4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine
SMILESCc1cn(CCCC(C)C)c(Nc2ccccc2)n1
InChIInChI=1S/C16H23N3/c1-13(2)8-7-11-19-12-14(3)17-16(19)18-15-9-5-4-6-10-15/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,17,18)
InChIKeyITLTXDHADOIGKT-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.37
Rot. Bonds6

About 4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine

4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine (PubChem CID 106572165) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine
PubChem CID106572165
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine
SMILESCc1cn(CCCC(C)C)c(Nc2ccccc2)n1
InChIInChI=1S/C16H23N3/c1-13(2)8-7-11-19-12-14(3)17-16(19)18-15-9-5-4-6-10-15/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,17,18)
InChIKeyITLTXDHADOIGKT-UHFFFAOYSA-N
XLogP4.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine?
The IUPAC name of 4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine (CID 106572165) is 4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine?
The canonical SMILES for 4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine is Cc1cn(CCCC(C)C)c(Nc2ccccc2)n1.
What is the InChIKey of 4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine?
The InChIKey is ITLTXDHADOIGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13(2)8-7-11-19-12-14(3)17-16(19)18-15-9-5-4-6-10-15/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,17,18).
What are the key properties of 4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine?
4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine has a molecular weight of 257.38 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine is sourced from PubChem (CID 106572165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).