(5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole-4-carbaldehyde

C18H19N3OS — CID 175239945

IUPAC(5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole-4-carbaldehyde
SMILESCSC1=N[C@@](C)(c2ccccc2)C(C=O)N1Nc1ccccc1
InChIInChI=1S/C18H19N3OS/c1-18(14-9-5-3-6-10-14)16(13-22)21(17(19-18)23-2)20-15-11-7-4-8-12-15/h3-13,16,20H,1-2H3/t16?,18-/m0/s1
InChIKeySHHXKIBVLUIDFQ-DAFXYXGESA-N
MW325.44 g/mol
LogP3.53
Rot. Bonds4

About (5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole-4-carbaldehyde

(5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole-4-carbaldehyde (PubChem CID 175239945) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is (5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole-4-carbaldehyde.

Molecular Properties

Compound Name(5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole-4-carbaldehyde
PubChem CID175239945
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name(5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole-4-carbaldehyde
SMILESCSC1=N[C@@](C)(c2ccccc2)C(C=O)N1Nc1ccccc1
InChIInChI=1S/C18H19N3OS/c1-18(14-9-5-3-6-10-14)16(13-22)21(17(19-18)23-2)20-15-11-7-4-8-12-15/h3-13,16,20H,1-2H3/t16?,18-/m0/s1
InChIKeySHHXKIBVLUIDFQ-DAFXYXGESA-N
XLogP3.53
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole-4-carbaldehyde?
The IUPAC name of (5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole-4-carbaldehyde (CID 175239945) is (5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole-4-carbaldehyde.
What is the SMILES notation for (5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole-4-carbaldehyde?
The canonical SMILES for (5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole-4-carbaldehyde is CSC1=N[C@@](C)(c2ccccc2)C(C=O)N1Nc1ccccc1.
What is the InChIKey of (5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole-4-carbaldehyde?
The InChIKey is SHHXKIBVLUIDFQ-DAFXYXGESA-N. The full InChI is InChI=1S/C18H19N3OS/c1-18(14-9-5-3-6-10-14)16(13-22)21(17(19-18)23-2)20-15-11-7-4-8-12-15/h3-13,16,20H,1-2H3/t16?,18-/m0/s1.
What are the key properties of (5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole-4-carbaldehyde?
(5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole-4-carbaldehyde has a molecular weight of 325.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenyl-4H-imidazole-4-carbaldehyde is sourced from PubChem (CID 175239945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).