(5S)-1-(2-cyclopentylethyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine

C20H31N3 — CID 24856294

IUPAC(5S)-1-(2-cyclopentylethyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESCC(C)C[C@H]1CN=C(Nc2ccccc2)N1CCC1CCCC1
InChIInChI=1S/C20H31N3/c1-16(2)14-19-15-21-20(22-18-10-4-3-5-11-18)23(19)13-12-17-8-6-7-9-17/h3-5,10-11,16-17,19H,6-9,12-15H2,1-2H3,(H,21,22)/t19-/m0/s1
InChIKeyZKWBMFJRROCNHI-IBGZPJMESA-N
MW313.49 g/mol
LogP4.77
Rot. Bonds6

About (5S)-1-(2-cyclopentylethyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine

(5S)-1-(2-cyclopentylethyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 24856294) has the molecular formula C20H31N3 and a molecular weight of 313.49 g/mol. Its IUPAC name is (5S)-1-(2-cyclopentylethyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-1-(2-cyclopentylethyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID24856294
Molecular FormulaC20H31N3
Molecular Weight313.49 g/mol
Exact Mass313.25
IUPAC Name(5S)-1-(2-cyclopentylethyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESCC(C)C[C@H]1CN=C(Nc2ccccc2)N1CCC1CCCC1
InChIInChI=1S/C20H31N3/c1-16(2)14-19-15-21-20(22-18-10-4-3-5-11-18)23(19)13-12-17-8-6-7-9-17/h3-5,10-11,16-17,19H,6-9,12-15H2,1-2H3,(H,21,22)/t19-/m0/s1
InChIKeyZKWBMFJRROCNHI-IBGZPJMESA-N
XLogP4.77
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(2-cyclopentylethyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-1-(2-cyclopentylethyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine (CID 24856294) is (5S)-1-(2-cyclopentylethyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-1-(2-cyclopentylethyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-1-(2-cyclopentylethyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine is CC(C)C[C@H]1CN=C(Nc2ccccc2)N1CCC1CCCC1.
What is the InChIKey of (5S)-1-(2-cyclopentylethyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is ZKWBMFJRROCNHI-IBGZPJMESA-N. The full InChI is InChI=1S/C20H31N3/c1-16(2)14-19-15-21-20(22-18-10-4-3-5-11-18)23(19)13-12-17-8-6-7-9-17/h3-5,10-11,16-17,19H,6-9,12-15H2,1-2H3,(H,21,22)/t19-/m0/s1.
What are the key properties of (5S)-1-(2-cyclopentylethyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
(5S)-1-(2-cyclopentylethyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 313.49 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(2-cyclopentylethyl)-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 24856294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).