2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide

C31H29N3O3S — CID 23914464

IUPAC2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide
SMILESCCC(Sc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C31H29N3O3S/c1-4-27(30(35)32-26-11-7-9-20-8-5-6-10-25(20)26)38-31-33-28(21-12-16-23(36-2)17-13-21)29(34-31)22-14-18-24(37-3)19-15-22/h5-19,27H,4H2,1-3H3,(H,32,35)(H,33,34)
InChIKeyIMPOCCBMGVFVCB-UHFFFAOYSA-N
MW523.66 g/mol
LogP7.42
Rot. Bonds9

About 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide

2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide (PubChem CID 23914464) has the molecular formula C31H29N3O3S and a molecular weight of 523.66 g/mol. Its IUPAC name is 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide.

Molecular Properties

Compound Name2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide
PubChem CID23914464
Molecular FormulaC31H29N3O3S
Molecular Weight523.66 g/mol
Exact Mass523.19
IUPAC Name2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide
SMILESCCC(Sc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C31H29N3O3S/c1-4-27(30(35)32-26-11-7-9-20-8-5-6-10-25(20)26)38-31-33-28(21-12-16-23(36-2)17-13-21)29(34-31)22-14-18-24(37-3)19-15-22/h5-19,27H,4H2,1-3H3,(H,32,35)(H,33,34)
InChIKeyIMPOCCBMGVFVCB-UHFFFAOYSA-N
XLogP7.42
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.66
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide
CID 23886348
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)butanamide
CID 23772258
2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoylamino]benzamide
CID 23886369
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 25043711
N-(1,3-benzodioxol-5-yl)-2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]butanamide
CID 23970318
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylbutanamide
CID 135715589
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-1-phenothiazin-10-ylbutan-1-one
CID 23859712
N-(2-methoxyphenyl)-2-[[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]butanamide
CID 136685747
2-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]sulfanyl]-N-naphthalen-1-ylbutanamide
CID 53293166
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-pyridin-3-ylbutanamide
CID 23886331
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 23801465
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-fluorophenyl)propanamide
CID 23861401

Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide?
The IUPAC name of 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide (CID 23914464) is 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide.
What is the SMILES notation for 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide?
The canonical SMILES for 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide is CCC(Sc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide?
The InChIKey is IMPOCCBMGVFVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O3S/c1-4-27(30(35)32-26-11-7-9-20-8-5-6-10-25(20)26)38-31-33-28(21-12-16-23(36-2)17-13-21)29(34-31)22-14-18-24(37-3)19-15-22/h5-19,27H,4H2,1-3H3,(H,32,35)(H,33,34).
What are the key properties of 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide?
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide has a molecular weight of 523.66 g/mol, XLogP of 7.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-naphthalen-1-ylbutanamide is sourced from PubChem (CID 23914464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).