(5S)-5-benzyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine

C22H29N3 — CID 24856245

IUPAC(5S)-5-benzyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESCCC(C)CCN1C(Nc2ccccc2)=NC[C@@H]1Cc1ccccc1
InChIInChI=1S/C22H29N3/c1-3-18(2)14-15-25-21(16-19-10-6-4-7-11-19)17-23-22(25)24-20-12-8-5-9-13-20/h4-13,18,21H,3,14-17H2,1-2H3,(H,23,24)/t18?,21-/m0/s1
InChIKeyFXCZSODGQDRYBD-ZYZRXSCRSA-N
MW335.50 g/mol
LogP4.82
Rot. Bonds7

About (5S)-5-benzyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine

(5S)-5-benzyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 24856245) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is (5S)-5-benzyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-benzyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID24856245
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC Name(5S)-5-benzyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESCCC(C)CCN1C(Nc2ccccc2)=NC[C@@H]1Cc1ccccc1
InChIInChI=1S/C22H29N3/c1-3-18(2)14-15-25-21(16-19-10-6-4-7-11-19)17-23-22(25)24-20-12-8-5-9-13-20/h4-13,18,21H,3,14-17H2,1-2H3,(H,23,24)/t18?,21-/m0/s1
InChIKeyFXCZSODGQDRYBD-ZYZRXSCRSA-N
XLogP4.82
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-benzyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine (CID 24856245) is (5S)-5-benzyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-benzyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-benzyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine is CCC(C)CCN1C(Nc2ccccc2)=NC[C@@H]1Cc1ccccc1.
What is the InChIKey of (5S)-5-benzyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is FXCZSODGQDRYBD-ZYZRXSCRSA-N. The full InChI is InChI=1S/C22H29N3/c1-3-18(2)14-15-25-21(16-19-10-6-4-7-11-19)17-23-22(25)24-20-12-8-5-9-13-20/h4-13,18,21H,3,14-17H2,1-2H3,(H,23,24)/t18?,21-/m0/s1.
What are the key properties of (5S)-5-benzyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
(5S)-5-benzyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 335.50 g/mol, XLogP of 4.82, 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-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 24856245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).