(5S)-5-benzyl-1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine

C20H31N3 — CID 16682572

IUPAC(5S)-5-benzyl-1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NC[C@H](Cc2ccccc2)N1CCCCC1CCCCC1
InChIInChI=1S/C20H31N3/c21-20-22-16-19(15-18-12-5-2-6-13-18)23(20)14-8-7-11-17-9-3-1-4-10-17/h2,5-6,12-13,17,19H,1,3-4,7-11,14-16H2,(H2,21,22)/t19-/m0/s1
InChIKeyMEXGMLWAANLVSU-IBGZPJMESA-N
MW313.49 g/mol
LogP3.98
Rot. Bonds7

About (5S)-5-benzyl-1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine

(5S)-5-benzyl-1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine (PubChem CID 16682572) has the molecular formula C20H31N3 and a molecular weight of 313.49 g/mol. Its IUPAC name is (5S)-5-benzyl-1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-benzyl-1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine
PubChem CID16682572
Molecular FormulaC20H31N3
Molecular Weight313.49 g/mol
Exact Mass313.25
IUPAC Name(5S)-5-benzyl-1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NC[C@H](Cc2ccccc2)N1CCCCC1CCCCC1
InChIInChI=1S/C20H31N3/c21-20-22-16-19(15-18-12-5-2-6-13-18)23(20)14-8-7-11-17-9-3-1-4-10-17/h2,5-6,12-13,17,19H,1,3-4,7-11,14-16H2,(H2,21,22)/t19-/m0/s1
InChIKeyMEXGMLWAANLVSU-IBGZPJMESA-N
XLogP3.98
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-benzyl-1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine (CID 16682572) is (5S)-5-benzyl-1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-benzyl-1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-benzyl-1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine is NC1=NC[C@H](Cc2ccccc2)N1CCCCC1CCCCC1.
What is the InChIKey of (5S)-5-benzyl-1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is MEXGMLWAANLVSU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H31N3/c21-20-22-16-19(15-18-12-5-2-6-13-18)23(20)14-8-7-11-17-9-3-1-4-10-17/h2,5-6,12-13,17,19H,1,3-4,7-11,14-16H2,(H2,21,22)/t19-/m0/s1.
What are the key properties of (5S)-5-benzyl-1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine?
(5S)-5-benzyl-1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 313.49 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 16682572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).