(5S)-5-[(2S)-butan-2-yl]-N-(4-chlorophenyl)-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine

C21H26ClN3 — CID 102245068

IUPAC(5S)-5-[(2S)-butan-2-yl]-N-(4-chlorophenyl)-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine
SMILESCC[C@H](C)[C@H]1CN=C(Nc2ccc(Cl)cc2)N1CCc1ccccc1
InChIInChI=1S/C21H26ClN3/c1-3-16(2)20-15-23-21(24-19-11-9-18(22)10-12-19)25(20)14-13-17-7-5-4-6-8-17/h4-12,16,20H,3,13-15H2,1-2H3,(H,23,24)/t16-,20+/m0/s1
InChIKeyFNAAQHAOSFHDDN-OXJNMPFZSA-N
MW355.91 g/mol
LogP5.08
Rot. Bonds6

About (5S)-5-[(2S)-butan-2-yl]-N-(4-chlorophenyl)-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine

(5S)-5-[(2S)-butan-2-yl]-N-(4-chlorophenyl)-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 102245068) has the molecular formula C21H26ClN3 and a molecular weight of 355.91 g/mol. Its IUPAC name is (5S)-5-[(2S)-butan-2-yl]-N-(4-chlorophenyl)-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-[(2S)-butan-2-yl]-N-(4-chlorophenyl)-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine
PubChem CID102245068
Molecular FormulaC21H26ClN3
Molecular Weight355.91 g/mol
Exact Mass355.18
IUPAC Name(5S)-5-[(2S)-butan-2-yl]-N-(4-chlorophenyl)-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine
SMILESCC[C@H](C)[C@H]1CN=C(Nc2ccc(Cl)cc2)N1CCc1ccccc1
InChIInChI=1S/C21H26ClN3/c1-3-16(2)20-15-23-21(24-19-11-9-18(22)10-12-19)25(20)14-13-17-7-5-4-6-8-17/h4-12,16,20H,3,13-15H2,1-2H3,(H,23,24)/t16-,20+/m0/s1
InChIKeyFNAAQHAOSFHDDN-OXJNMPFZSA-N
XLogP5.08
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.91
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-5-[(2S)-butan-2-yl]-N-(4-chlorophenyl)-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine with MolForge

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Related Compounds

(5S)-5-butan-2-yl-N-(4-chlorophenyl)-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine
CID 10871965
N-(4-chlorophenyl)-1-methyl-5-phenyl-4,5-dihydroimidazol-2-amine
CID 3028790
1-benzyl-5-pentan-2-yl-4,5-dihydroimidazol-2-amine
CID 79506049
(5S)-5-methyl-1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine
CID 24856296
N-(4-chlorophenyl)-1-(4-phenylbutan-2-yl)piperidin-4-amine
CID 4005434
3-(4-chloroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 16647871
(4R)-4-ethyl-1-(2-phenylethyl)azetidin-2-one
CID 135071116
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
2-[1-(4-chlorophenyl)-2,5-dioxo-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 4030854
3-(4-chloroanilino)-4-(3-phenylpropylamino)cyclobut-3-ene-1,2-dione
CID 170609362
3-benzylsulfanyl-6-(4-chloroanilino)-4-methyl-1,2,4-triazin-5-one
CID 35754432
N-(4-chlorophenyl)-2-propan-2-ylaniline
CID 82536589

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2S)-butan-2-yl]-N-(4-chlorophenyl)-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-[(2S)-butan-2-yl]-N-(4-chlorophenyl)-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine (CID 102245068) is (5S)-5-[(2S)-butan-2-yl]-N-(4-chlorophenyl)-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-[(2S)-butan-2-yl]-N-(4-chlorophenyl)-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-[(2S)-butan-2-yl]-N-(4-chlorophenyl)-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine is CC[C@H](C)[C@H]1CN=C(Nc2ccc(Cl)cc2)N1CCc1ccccc1.
What is the InChIKey of (5S)-5-[(2S)-butan-2-yl]-N-(4-chlorophenyl)-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is FNAAQHAOSFHDDN-OXJNMPFZSA-N. The full InChI is InChI=1S/C21H26ClN3/c1-3-16(2)20-15-23-21(24-19-11-9-18(22)10-12-19)25(20)14-13-17-7-5-4-6-8-17/h4-12,16,20H,3,13-15H2,1-2H3,(H,23,24)/t16-,20+/m0/s1.
What are the key properties of (5S)-5-[(2S)-butan-2-yl]-N-(4-chlorophenyl)-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine?
(5S)-5-[(2S)-butan-2-yl]-N-(4-chlorophenyl)-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 355.91 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2S)-butan-2-yl]-N-(4-chlorophenyl)-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 102245068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).