(5S)-5-benzyl-1-ethyl-N-phenyl-4,5-dihydroimidazol-2-amine

C18H21N3 — CID 24856246

IUPAC(5S)-5-benzyl-1-ethyl-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESCCN1C(Nc2ccccc2)=NC[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H21N3/c1-2-21-17(13-15-9-5-3-6-10-15)14-19-18(21)20-16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyKOTALEHOWVXPKS-KRWDZBQOSA-N
MW279.39 g/mol
LogP3.40
Rot. Bonds4

About (5S)-5-benzyl-1-ethyl-N-phenyl-4,5-dihydroimidazol-2-amine

(5S)-5-benzyl-1-ethyl-N-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 24856246) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is (5S)-5-benzyl-1-ethyl-N-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-benzyl-1-ethyl-N-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID24856246
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name(5S)-5-benzyl-1-ethyl-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESCCN1C(Nc2ccccc2)=NC[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H21N3/c1-2-21-17(13-15-9-5-3-6-10-15)14-19-18(21)20-16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyKOTALEHOWVXPKS-KRWDZBQOSA-N
XLogP3.40
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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St 91
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CID 9821194

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-1-ethyl-N-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-benzyl-1-ethyl-N-phenyl-4,5-dihydroimidazol-2-amine (CID 24856246) is (5S)-5-benzyl-1-ethyl-N-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-benzyl-1-ethyl-N-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-benzyl-1-ethyl-N-phenyl-4,5-dihydroimidazol-2-amine is CCN1C(Nc2ccccc2)=NC[C@@H]1Cc1ccccc1.
What is the InChIKey of (5S)-5-benzyl-1-ethyl-N-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is KOTALEHOWVXPKS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-21-17(13-15-9-5-3-6-10-15)14-19-18(21)20-16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,19,20)/t17-/m0/s1.
What are the key properties of (5S)-5-benzyl-1-ethyl-N-phenyl-4,5-dihydroimidazol-2-amine?
(5S)-5-benzyl-1-ethyl-N-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 279.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-1-ethyl-N-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 24856246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).