4-(1,3-dithian-2-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide

C23H25N3O2S2 — CID 24660553

IUPAC4-(1,3-dithian-2-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
SMILESCOc1ccccc1C(NC(=O)c1ccc(C2SCCCS2)cc1)c1nccn1C
InChIInChI=1S/C23H25N3O2S2/c1-26-13-12-24-21(26)20(18-6-3-4-7-19(18)28-2)25-22(27)16-8-10-17(11-9-16)23-29-14-5-15-30-23/h3-4,6-13,20,23H,5,14-15H2,1-2H3,(H,25,27)
InChIKeySYUUULOIPUEDEE-UHFFFAOYSA-N
MW439.61 g/mol
LogP4.82
Rot. Bonds6

About 4-(1,3-dithian-2-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide

4-(1,3-dithian-2-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 24660553) has the molecular formula C23H25N3O2S2 and a molecular weight of 439.61 g/mol. Its IUPAC name is 4-(1,3-dithian-2-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(1,3-dithian-2-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID24660553
Molecular FormulaC23H25N3O2S2
Molecular Weight439.61 g/mol
Exact Mass439.14
IUPAC Name4-(1,3-dithian-2-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
SMILESCOc1ccccc1C(NC(=O)c1ccc(C2SCCCS2)cc1)c1nccn1C
InChIInChI=1S/C23H25N3O2S2/c1-26-13-12-24-21(26)20(18-6-3-4-7-19(18)28-2)25-22(27)16-8-10-17(11-9-16)23-29-14-5-15-30-23/h3-4,6-13,20,23H,5,14-15H2,1-2H3,(H,25,27)
InChIKeySYUUULOIPUEDEE-UHFFFAOYSA-N
XLogP4.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.61
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfinylbenzamide
CID 51269524
4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923268
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide
CID 51269492
3-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzamide
CID 51269549
3-(difluoromethoxy)-4-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 55759400
3-fluoro-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 40939583
1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55597981
4-(1,3-dithiolan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 78771363
4-methoxy-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]benzamide
CID 110440273
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 16668817

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithian-2-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 4-(1,3-dithian-2-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide (CID 24660553) is 4-(1,3-dithian-2-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(1,3-dithian-2-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-(1,3-dithian-2-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide is COc1ccccc1C(NC(=O)c1ccc(C2SCCCS2)cc1)c1nccn1C.
What is the InChIKey of 4-(1,3-dithian-2-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is SYUUULOIPUEDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S2/c1-26-13-12-24-21(26)20(18-6-3-4-7-19(18)28-2)25-22(27)16-8-10-17(11-9-16)23-29-14-5-15-30-23/h3-4,6-13,20,23H,5,14-15H2,1-2H3,(H,25,27).
What are the key properties of 4-(1,3-dithian-2-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
4-(1,3-dithian-2-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 439.61 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithian-2-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 24660553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).