4-[(1-methylimidazol-2-yl)methoxy]-N,N-bis(thiophen-2-ylmethyl)benzamide

C22H21N3O2S2 — CID 55876159

IUPAC4-[(1-methylimidazol-2-yl)methoxy]-N,N-bis(thiophen-2-ylmethyl)benzamide
SMILESCn1ccnc1COc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1
InChIInChI=1S/C22H21N3O2S2/c1-24-11-10-23-21(24)16-27-18-8-6-17(7-9-18)22(26)25(14-19-4-2-12-28-19)15-20-5-3-13-29-20/h2-13H,14-16H2,1H3
InChIKeyPHKYMFYRAPZLEU-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.96
Rot. Bonds8

About 4-[(1-methylimidazol-2-yl)methoxy]-N,N-bis(thiophen-2-ylmethyl)benzamide

4-[(1-methylimidazol-2-yl)methoxy]-N,N-bis(thiophen-2-ylmethyl)benzamide (PubChem CID 55876159) has the molecular formula C22H21N3O2S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methoxy]-N,N-bis(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methoxy]-N,N-bis(thiophen-2-ylmethyl)benzamide
PubChem CID55876159
Molecular FormulaC22H21N3O2S2
Molecular Weight423.56 g/mol
Exact Mass423.11
IUPAC Name4-[(1-methylimidazol-2-yl)methoxy]-N,N-bis(thiophen-2-ylmethyl)benzamide
SMILESCn1ccnc1COc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1
InChIInChI=1S/C22H21N3O2S2/c1-24-11-10-23-21(24)16-27-18-8-6-17(7-9-18)22(26)25(14-19-4-2-12-28-19)15-20-5-3-13-29-20/h2-13H,14-16H2,1H3
InChIKeyPHKYMFYRAPZLEU-UHFFFAOYSA-N
XLogP4.96
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 50983664
1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-one
CID 105116298
5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide
CID 55789132
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55786680
methyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate
CID 55736473
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 47038296
N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990
methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
4-[(1-methylimidazol-2-yl)methoxy]-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 55975100

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)methoxy]-N,N-bis(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methoxy]-N,N-bis(thiophen-2-ylmethyl)benzamide (CID 55876159) is 4-[(1-methylimidazol-2-yl)methoxy]-N,N-bis(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methoxy]-N,N-bis(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methoxy]-N,N-bis(thiophen-2-ylmethyl)benzamide is Cn1ccnc1COc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methoxy]-N,N-bis(thiophen-2-ylmethyl)benzamide?
The InChIKey is PHKYMFYRAPZLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S2/c1-24-11-10-23-21(24)16-27-18-8-6-17(7-9-18)22(26)25(14-19-4-2-12-28-19)15-20-5-3-13-29-20/h2-13H,14-16H2,1H3.
What are the key properties of 4-[(1-methylimidazol-2-yl)methoxy]-N,N-bis(thiophen-2-ylmethyl)benzamide?
4-[(1-methylimidazol-2-yl)methoxy]-N,N-bis(thiophen-2-ylmethyl)benzamide has a molecular weight of 423.56 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methoxy]-N,N-bis(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 55876159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).