N-cyclopropyl-4-methyl-1-(4-phenylbutan-2-yl)imidazol-2-amine

C17H23N3 — CID 106567259

IUPACN-cyclopropyl-4-methyl-1-(4-phenylbutan-2-yl)imidazol-2-amine
SMILESCc1cn(C(C)CCc2ccccc2)c(NC2CC2)n1
InChIInChI=1S/C17H23N3/c1-13-12-20(17(18-13)19-16-10-11-16)14(2)8-9-15-6-4-3-5-7-15/h3-7,12,14,16H,8-11H2,1-2H3,(H,18,19)
InChIKeyFXSRNJDGRLHPMS-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.96
Rot. Bonds6

About N-cyclopropyl-4-methyl-1-(4-phenylbutan-2-yl)imidazol-2-amine

N-cyclopropyl-4-methyl-1-(4-phenylbutan-2-yl)imidazol-2-amine (PubChem CID 106567259) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-1-(4-phenylbutan-2-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-1-(4-phenylbutan-2-yl)imidazol-2-amine
PubChem CID106567259
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-cyclopropyl-4-methyl-1-(4-phenylbutan-2-yl)imidazol-2-amine
SMILESCc1cn(C(C)CCc2ccccc2)c(NC2CC2)n1
InChIInChI=1S/C17H23N3/c1-13-12-20(17(18-13)19-16-10-11-16)14(2)8-9-15-6-4-3-5-7-15/h3-7,12,14,16H,8-11H2,1-2H3,(H,18,19)
InChIKeyFXSRNJDGRLHPMS-UHFFFAOYSA-N
XLogP3.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-1-(4-phenylbutan-2-yl)imidazol-2-amine?
The IUPAC name of N-cyclopropyl-4-methyl-1-(4-phenylbutan-2-yl)imidazol-2-amine (CID 106567259) is N-cyclopropyl-4-methyl-1-(4-phenylbutan-2-yl)imidazol-2-amine.
What is the SMILES notation for N-cyclopropyl-4-methyl-1-(4-phenylbutan-2-yl)imidazol-2-amine?
The canonical SMILES for N-cyclopropyl-4-methyl-1-(4-phenylbutan-2-yl)imidazol-2-amine is Cc1cn(C(C)CCc2ccccc2)c(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-4-methyl-1-(4-phenylbutan-2-yl)imidazol-2-amine?
The InChIKey is FXSRNJDGRLHPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-12-20(17(18-13)19-16-10-11-16)14(2)8-9-15-6-4-3-5-7-15/h3-7,12,14,16H,8-11H2,1-2H3,(H,18,19).
What are the key properties of N-cyclopropyl-4-methyl-1-(4-phenylbutan-2-yl)imidazol-2-amine?
N-cyclopropyl-4-methyl-1-(4-phenylbutan-2-yl)imidazol-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-1-(4-phenylbutan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106567259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).