(NE)-N-[[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methylidene]hydroxylamine

C19H19ClN4OS — CID 135619606

IUPAC(NE)-N-[[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methylidene]hydroxylamine
SMILESCC(C)c1nc(/C=N/O)n(Cc2cccnc2)c1Sc1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4OS/c1-13(2)18-19(26-16-7-3-6-15(20)9-16)24(17(23-18)11-22-25)12-14-5-4-8-21-10-14/h3-11,13,25H,12H2,1-2H3/b22-11+
InChIKeyKGJBRSKGXBJCKK-SSDVNMTOSA-N
MW386.91 g/mol
LogP5.06
Rot. Bonds6

About (NE)-N-[[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methylidene]hydroxylamine

(NE)-N-[[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methylidene]hydroxylamine (PubChem CID 135619606) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is (NE)-N-[[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methylidene]hydroxylamine
PubChem CID135619606
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC Name(NE)-N-[[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methylidene]hydroxylamine
SMILESCC(C)c1nc(/C=N/O)n(Cc2cccnc2)c1Sc1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4OS/c1-13(2)18-19(26-16-7-3-6-15(20)9-16)24(17(23-18)11-22-25)12-14-5-4-8-21-10-14/h3-11,13,25H,12H2,1-2H3/b22-11+
InChIKeyKGJBRSKGXBJCKK-SSDVNMTOSA-N
XLogP5.06
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.91
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methylidenehydrazine
CID 141034452
2-[[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methoxy]ethyl carbamate
CID 22130388
4-[[5-(3-chlorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine
CID 22130214
[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methanamine
CID 22130071
(NE)-N-[[5-(3-fluorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylidene]hydroxylamine
CID 135706019
[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methyl carbamate
CID 22130570
3-[[2-(2-azidoethyl)-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine
CID 22130047
1-[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]-N,N-dimethylmethanamine
CID 139729918
2-(azidomethyl)-1-benzyl-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazole
CID 22130113
3-[2-(hydroxymethyl)-5-propan-2-yl-3-(pyridin-4-ylmethyl)imidazol-4-yl]sulfanylphenol
CID 59853453
2-[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]ethyl acetate
CID 22130221
1-[5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]propan-1-ol
CID 139800147

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methylidene]hydroxylamine (CID 135619606) is (NE)-N-[[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methylidene]hydroxylamine is CC(C)c1nc(/C=N/O)n(Cc2cccnc2)c1Sc1cccc(Cl)c1.
What is the InChIKey of (NE)-N-[[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methylidene]hydroxylamine?
The InChIKey is KGJBRSKGXBJCKK-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c1-13(2)18-19(26-16-7-3-6-15(20)9-16)24(17(23-18)11-22-25)12-14-5-4-8-21-10-14/h3-11,13,25H,12H2,1-2H3/b22-11+.
What are the key properties of (NE)-N-[[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methylidene]hydroxylamine?
(NE)-N-[[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methylidene]hydroxylamine has a molecular weight of 386.91 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 135619606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).