(5S)-5-benzyl-1-(3-cyclopentylpropyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine

C20H31N3 — CID 25102539

IUPAC(5S)-5-benzyl-1-(3-cyclopentylpropyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine
SMILESCN(C)C1=NC[C@H](Cc2ccccc2)N1CCCC1CCCC1
InChIInChI=1S/C20H31N3/c1-22(2)20-21-16-19(15-18-11-4-3-5-12-18)23(20)14-8-13-17-9-6-7-10-17/h3-5,11-12,17,19H,6-10,13-16H2,1-2H3/t19-/m0/s1
InChIKeyZVNDLOICJMWNOR-IBGZPJMESA-N
MW313.49 g/mol
LogP3.80
Rot. Bonds6

About (5S)-5-benzyl-1-(3-cyclopentylpropyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine

(5S)-5-benzyl-1-(3-cyclopentylpropyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine (PubChem CID 25102539) has the molecular formula C20H31N3 and a molecular weight of 313.49 g/mol. Its IUPAC name is (5S)-5-benzyl-1-(3-cyclopentylpropyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-benzyl-1-(3-cyclopentylpropyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine
PubChem CID25102539
Molecular FormulaC20H31N3
Molecular Weight313.49 g/mol
Exact Mass313.25
IUPAC Name(5S)-5-benzyl-1-(3-cyclopentylpropyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine
SMILESCN(C)C1=NC[C@H](Cc2ccccc2)N1CCCC1CCCC1
InChIInChI=1S/C20H31N3/c1-22(2)20-21-16-19(15-18-11-4-3-5-12-18)23(20)14-8-13-17-9-6-7-10-17/h3-5,11-12,17,19H,6-10,13-16H2,1-2H3/t19-/m0/s1
InChIKeyZVNDLOICJMWNOR-IBGZPJMESA-N
XLogP3.80
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-1-(3-cyclopentylpropyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-benzyl-1-(3-cyclopentylpropyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine (CID 25102539) is (5S)-5-benzyl-1-(3-cyclopentylpropyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-benzyl-1-(3-cyclopentylpropyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-benzyl-1-(3-cyclopentylpropyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine is CN(C)C1=NC[C@H](Cc2ccccc2)N1CCCC1CCCC1.
What is the InChIKey of (5S)-5-benzyl-1-(3-cyclopentylpropyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
The InChIKey is ZVNDLOICJMWNOR-IBGZPJMESA-N. The full InChI is InChI=1S/C20H31N3/c1-22(2)20-21-16-19(15-18-11-4-3-5-12-18)23(20)14-8-13-17-9-6-7-10-17/h3-5,11-12,17,19H,6-10,13-16H2,1-2H3/t19-/m0/s1.
What are the key properties of (5S)-5-benzyl-1-(3-cyclopentylpropyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine?
(5S)-5-benzyl-1-(3-cyclopentylpropyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine has a molecular weight of 313.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-1-(3-cyclopentylpropyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).