N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide

C18H18N4O2S — CID 71888425

IUPACN-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2ccc(S(C)=O)cc2)cn1
InChIInChI=1S/C18H18N4O2S/c1-13-19-9-10-22(13)17-8-3-14(11-20-17)12-21-18(23)15-4-6-16(7-5-15)25(2)24/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeySWFUFHYAAQKNRV-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.24
Rot. Bonds5

About N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide

N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide (PubChem CID 71888425) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide.

Molecular Properties

Compound NameN-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide
PubChem CID71888425
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2ccc(S(C)=O)cc2)cn1
InChIInChI=1S/C18H18N4O2S/c1-13-19-9-10-22(13)17-8-3-14(11-20-17)12-21-18(23)15-4-6-16(7-5-15)25(2)24/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeySWFUFHYAAQKNRV-UHFFFAOYSA-N
XLogP2.24
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-[(R)-methylsulfinyl]benzamide
CID 97009313
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 86821194
4-(ethylsulfamoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 87023016
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 47353927
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-methylphenyl)acetamide
CID 87023045
2-(methoxymethyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
CID 48595046
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 112844279
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide
CID 119848280
1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848271
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 87023039
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 71888414
1-(2,2-dimethylpropanoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 87023017

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide?
The IUPAC name of N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide (CID 71888425) is N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide.
What is the SMILES notation for N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide?
The canonical SMILES for N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide is Cc1nccn1-c1ccc(CNC(=O)c2ccc(S(C)=O)cc2)cn1.
What is the InChIKey of N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide?
The InChIKey is SWFUFHYAAQKNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-13-19-9-10-22(13)17-8-3-14(11-20-17)12-21-18(23)15-4-6-16(7-5-15)25(2)24/h3-11H,12H2,1-2H3,(H,21,23).
What are the key properties of N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide?
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide has a molecular weight of 354.44 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide is sourced from PubChem (CID 71888425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).