(5S)-5-methyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine

C20H25N3 — CID 24856302

IUPAC(5S)-5-methyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine
SMILESCC(CCN1C(Nc2ccccc2)=NC[C@@H]1C)c1ccccc1
InChIInChI=1S/C20H25N3/c1-16(18-9-5-3-6-10-18)13-14-23-17(2)15-21-20(23)22-19-11-7-4-8-12-19/h3-12,16-17H,13-15H2,1-2H3,(H,21,22)/t16?,17-/m0/s1
InChIKeyBNTVFKMIWKZCKS-DJNXLDHESA-N
MW307.44 g/mol
LogP4.35
Rot. Bonds5

About (5S)-5-methyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine

(5S)-5-methyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine (PubChem CID 24856302) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is (5S)-5-methyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-methyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine
PubChem CID24856302
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name(5S)-5-methyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine
SMILESCC(CCN1C(Nc2ccccc2)=NC[C@@H]1C)c1ccccc1
InChIInChI=1S/C20H25N3/c1-16(18-9-5-3-6-10-18)13-14-23-17(2)15-21-20(23)22-19-11-7-4-8-12-19/h3-12,16-17H,13-15H2,1-2H3,(H,21,22)/t16?,17-/m0/s1
InChIKeyBNTVFKMIWKZCKS-DJNXLDHESA-N
XLogP4.35
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-methyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine (CID 24856302) is (5S)-5-methyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-methyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-methyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine is CC(CCN1C(Nc2ccccc2)=NC[C@@H]1C)c1ccccc1.
What is the InChIKey of (5S)-5-methyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is BNTVFKMIWKZCKS-DJNXLDHESA-N. The full InChI is InChI=1S/C20H25N3/c1-16(18-9-5-3-6-10-18)13-14-23-17(2)15-21-20(23)22-19-11-7-4-8-12-19/h3-12,16-17H,13-15H2,1-2H3,(H,21,22)/t16?,17-/m0/s1.
What are the key properties of (5S)-5-methyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine?
(5S)-5-methyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 307.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-N-phenyl-1-(3-phenylbutyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 24856302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).