4-[[5-(3-chlorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine

C20H25ClN4S — CID 22130214

IUPAC4-[[5-(3-chlorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine
SMILESCN.Cc1nc(C(C)C)c(Sc2cccc(Cl)c2)n1Cc1ccncc1
InChIInChI=1S/C19H20ClN3S.CH5N/c1-13(2)18-19(24-17-6-4-5-16(20)11-17)23(14(3)22-18)12-15-7-9-21-10-8-15;1-2/h4-11,13H,12H2,1-3H3;2H2,1H3
InChIKeyNHVMVYLCJVHAJZ-UHFFFAOYSA-N
MW388.97 g/mol
LogP5.14
Rot. Bonds5

About 4-[[5-(3-chlorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine

4-[[5-(3-chlorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine (PubChem CID 22130214) has the molecular formula C20H25ClN4S and a molecular weight of 388.97 g/mol. Its IUPAC name is 4-[[5-(3-chlorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine.

Molecular Properties

Compound Name4-[[5-(3-chlorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine
PubChem CID22130214
Molecular FormulaC20H25ClN4S
Molecular Weight388.97 g/mol
Exact Mass388.15
IUPAC Name4-[[5-(3-chlorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine
SMILESCN.Cc1nc(C(C)C)c(Sc2cccc(Cl)c2)n1Cc1ccncc1
InChIInChI=1S/C19H20ClN3S.CH5N/c1-13(2)18-19(24-17-6-4-5-16(20)11-17)23(14(3)22-18)12-15-7-9-21-10-8-15;1-2/h4-11,13H,12H2,1-3H3;2H2,1H3
InChIKeyNHVMVYLCJVHAJZ-UHFFFAOYSA-N
XLogP5.14
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.97
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-chlorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine?
The IUPAC name of 4-[[5-(3-chlorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine (CID 22130214) is 4-[[5-(3-chlorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine.
What is the SMILES notation for 4-[[5-(3-chlorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine?
The canonical SMILES for 4-[[5-(3-chlorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine is CN.Cc1nc(C(C)C)c(Sc2cccc(Cl)c2)n1Cc1ccncc1.
What is the InChIKey of 4-[[5-(3-chlorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine?
The InChIKey is NHVMVYLCJVHAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3S.CH5N/c1-13(2)18-19(24-17-6-4-5-16(20)11-17)23(14(3)22-18)12-15-7-9-21-10-8-15;1-2/h4-11,13H,12H2,1-3H3;2H2,1H3.
What are the key properties of 4-[[5-(3-chlorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine?
4-[[5-(3-chlorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine has a molecular weight of 388.97 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-chlorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine is sourced from PubChem (CID 22130214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).