1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine

C14H21N3 — CID 24856216

IUPAC1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESCC(C)CCN1CCN=C1Nc1ccccc1
InChIInChI=1S/C14H21N3/c1-12(2)8-10-17-11-9-15-14(17)16-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,15,16)
InChIKeyMWOOZUPURCYELU-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.82
Rot. Bonds4

About 1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine

1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 24856216) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID24856216
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESCC(C)CCN1CCN=C1Nc1ccccc1
InChIInChI=1S/C14H21N3/c1-12(2)8-10-17-11-9-15-14(17)16-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,15,16)
InChIKeyMWOOZUPURCYELU-UHFFFAOYSA-N
XLogP2.82
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine (CID 24856216) is 1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine is CC(C)CCN1CCN=C1Nc1ccccc1.
What is the InChIKey of 1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is MWOOZUPURCYELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-12(2)8-10-17-11-9-15-14(17)16-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,15,16).
What are the key properties of 1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 231.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 24856216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).