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

C14H19N3 — CID 25102525

IUPAC1-(cyclobutylmethyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESc1ccc(NC2=NCCN2CC2CCC2)cc1
InChIInChI=1S/C14H19N3/c1-2-7-13(8-3-1)16-14-15-9-10-17(14)11-12-5-4-6-12/h1-3,7-8,12H,4-6,9-11H2,(H,15,16)
InChIKeyHZIBFNGNWNOANT-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.57
Rot. Bonds3

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

1-(cyclobutylmethyl)-N-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 25102525) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-N-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-N-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID25102525
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-(cyclobutylmethyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESc1ccc(NC2=NCCN2CC2CCC2)cc1
InChIInChI=1S/C14H19N3/c1-2-7-13(8-3-1)16-14-15-9-10-17(14)11-12-5-4-6-12/h1-3,7-8,12H,4-6,9-11H2,(H,15,16)
InChIKeyHZIBFNGNWNOANT-UHFFFAOYSA-N
XLogP2.57
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(cyclobutylmethyl)-N-phenyl-4,5-dihydroimidazol-2-amine (CID 25102525) is 1-(cyclobutylmethyl)-N-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(cyclobutylmethyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(cyclobutylmethyl)-N-phenyl-4,5-dihydroimidazol-2-amine is c1ccc(NC2=NCCN2CC2CCC2)cc1.
What is the InChIKey of 1-(cyclobutylmethyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is HZIBFNGNWNOANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-7-13(8-3-1)16-14-15-9-10-17(14)11-12-5-4-6-12/h1-3,7-8,12H,4-6,9-11H2,(H,15,16).
What are the key properties of 1-(cyclobutylmethyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
1-(cyclobutylmethyl)-N-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-N-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).