N-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide

C14H17N3O2S — CID 110895206

IUPACN-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCSc1nccn1-c1cccc(C(=O)N(C)CCO)c1
InChIInChI=1S/C14H17N3O2S/c1-16(8-9-18)13(19)11-4-3-5-12(10-11)17-7-6-15-14(17)20-2/h3-7,10,18H,8-9H2,1-2H3
InChIKeyOJJZTAQJDCWDQV-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.66
Rot. Bonds5

About N-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide

N-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide (PubChem CID 110895206) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
PubChem CID110895206
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCSc1nccn1-c1cccc(C(=O)N(C)CCO)c1
InChIInChI=1S/C14H17N3O2S/c1-16(8-9-18)13(19)11-4-3-5-12(10-11)17-7-6-15-14(17)20-2/h3-7,10,18H,8-9H2,1-2H3
InChIKeyOJJZTAQJDCWDQV-UHFFFAOYSA-N
XLogP1.66
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-(2-methylsulfanylimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 55773686
N-[(3-methoxyphenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55770624
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55774651
methyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 155977147
ethyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 22224839
N-(6-methoxy-3-pyridinyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 48735281
3-(2-methylsulfanylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 47045716
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55868220
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55771223
N-(5-chloro-2-methoxyphenyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 86950261
2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-(2-phenylethyl)benzamide
CID 55771473
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 87037186

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide (CID 110895206) is N-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide is CSc1nccn1-c1cccc(C(=O)N(C)CCO)c1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The InChIKey is OJJZTAQJDCWDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-16(8-9-18)13(19)11-4-3-5-12(10-11)17-7-6-15-14(17)20-2/h3-7,10,18H,8-9H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide?
N-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide has a molecular weight of 291.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide is sourced from PubChem (CID 110895206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).