N-[(3-methoxyphenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide

C20H21N3O2S — CID 55770624

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCOc1cccc(CN(C)C(=O)c2cccc(-n3ccnc3SC)c2)c1
InChIInChI=1S/C20H21N3O2S/c1-22(14-15-6-4-9-18(12-15)25-2)19(24)16-7-5-8-17(13-16)23-11-10-21-20(23)26-3/h4-13H,14H2,1-3H3
InChIKeyPMIIWLQXTFJSRM-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.88
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide

N-[(3-methoxyphenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide (PubChem CID 55770624) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
PubChem CID55770624
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCOc1cccc(CN(C)C(=O)c2cccc(-n3ccnc3SC)c2)c1
InChIInChI=1S/C20H21N3O2S/c1-22(14-15-6-4-9-18(12-15)25-2)19(24)16-7-5-8-17(13-16)23-11-10-21-20(23)26-3/h4-13H,14H2,1-3H3
InChIKeyPMIIWLQXTFJSRM-UHFFFAOYSA-N
XLogP3.88
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 110895206
N-methyl-3-(2-methylsulfanylimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 55773686
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55774651
N-(6-methoxy-3-pyridinyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 48735281
methyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 155977147
N-(5-chloro-2-methoxyphenyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 86950261
ethyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 22224839
N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 9112314
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55770626
2-hydrazinyl-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 62243535
N-[2-[4-[(2S)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]phenyl]ethyl]acetamide
CID 33297739

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide (CID 55770624) is N-[(3-methoxyphenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide is COc1cccc(CN(C)C(=O)c2cccc(-n3ccnc3SC)c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The InChIKey is PMIIWLQXTFJSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-22(14-15-6-4-9-18(12-15)25-2)19(24)16-7-5-8-17(13-16)23-11-10-21-20(23)26-3/h4-13H,14H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide?
N-[(3-methoxyphenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide has a molecular weight of 367.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide is sourced from PubChem (CID 55770624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).