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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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).