N-(6-methoxy-3-pyridinyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide

C18H18N4O2S — CID 48735281

IUPACN-(6-methoxy-3-pyridinyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCOc1ccc(N(C)C(=O)c2cccc(-n3ccnc3SC)c2)cn1
InChIInChI=1S/C18H18N4O2S/c1-21(15-7-8-16(24-2)20-12-15)17(23)13-5-4-6-14(11-13)22-10-9-19-18(22)25-3/h4-12H,1-3H3
InChIKeyFJTBPRHVXLMHIS-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.27
Rot. Bonds5

About N-(6-methoxy-3-pyridinyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide

N-(6-methoxy-3-pyridinyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide (PubChem CID 48735281) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
PubChem CID48735281
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(6-methoxy-3-pyridinyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCOc1ccc(N(C)C(=O)c2cccc(-n3ccnc3SC)c2)cn1
InChIInChI=1S/C18H18N4O2S/c1-21(15-7-8-16(24-2)20-12-15)17(23)13-5-4-6-14(11-13)22-10-9-19-18(22)25-3/h4-12H,1-3H3
InChIKeyFJTBPRHVXLMHIS-UHFFFAOYSA-N
XLogP3.27
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 86950261
methyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 155977147
N-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 110895206
N-[(3-methoxyphenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55770624
ethyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 22224839
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-3-pyridinyl)-N-methylbenzamide
CID 135331470
3-(2-methylsulfanylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 47045716
N-methyl-3-(2-methylsulfanylimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 55773686
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55774651
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55774767
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55868220
6-methoxy-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 59607054

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide (CID 48735281) is N-(6-methoxy-3-pyridinyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide is COc1ccc(N(C)C(=O)c2cccc(-n3ccnc3SC)c2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The InChIKey is FJTBPRHVXLMHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-21(15-7-8-16(24-2)20-12-15)17(23)13-5-4-6-14(11-13)22-10-9-19-18(22)25-3/h4-12H,1-3H3.
What are the key properties of N-(6-methoxy-3-pyridinyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide?
N-(6-methoxy-3-pyridinyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide has a molecular weight of 354.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide is sourced from PubChem (CID 48735281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).