N-methyl-4-[[methyl-[(3-methyl-4-phenyl-2-sulfanylideneimidazol-1-yl)methyl]amino]methyl]benzamide

C21H24N4OS — CID 9323972

IUPACN-methyl-4-[[methyl-[(3-methyl-4-phenyl-2-sulfanylideneimidazol-1-yl)methyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)Cn2cc(-c3ccccc3)n(C)c2=S)cc1
InChIInChI=1S/C21H24N4OS/c1-22-20(26)18-11-9-16(10-12-18)13-23(2)15-25-14-19(24(3)21(25)27)17-7-5-4-6-8-17/h4-12,14H,13,15H2,1-3H3,(H,22,26)
InChIKeyZZHJMGMINSOGGJ-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.67
Rot. Bonds6

About N-methyl-4-[[methyl-[(3-methyl-4-phenyl-2-sulfanylideneimidazol-1-yl)methyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[(3-methyl-4-phenyl-2-sulfanylideneimidazol-1-yl)methyl]amino]methyl]benzamide (PubChem CID 9323972) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[(3-methyl-4-phenyl-2-sulfanylideneimidazol-1-yl)methyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[(3-methyl-4-phenyl-2-sulfanylideneimidazol-1-yl)methyl]amino]methyl]benzamide
PubChem CID9323972
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-methyl-4-[[methyl-[(3-methyl-4-phenyl-2-sulfanylideneimidazol-1-yl)methyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)Cn2cc(-c3ccccc3)n(C)c2=S)cc1
InChIInChI=1S/C21H24N4OS/c1-22-20(26)18-11-9-16(10-12-18)13-23(2)15-25-14-19(24(3)21(25)27)17-7-5-4-6-8-17/h4-12,14H,13,15H2,1-3H3,(H,22,26)
InChIKeyZZHJMGMINSOGGJ-UHFFFAOYSA-N
XLogP3.67
TPSA42.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[[methyl-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide
CID 9323312
4-[[[2-(dibenzylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003318
N-methyl-4-[[methyl-[(5-methyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]amino]methyl]benzamide
CID 9323541
N-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide
CID 9323282
N-methyl-4-[[methyl-[(3-sulfanylidene-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)methyl]amino]methyl]benzamide
CID 9323180
N-methyl-4-[[methyl-[(5-propylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]amino]methyl]benzamide
CID 9323700
N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide
CID 9003185
4-[[[3-(4-chlorophenyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]methyl]-N-methylbenzamide
CID 27393082
N-methyl-4-[[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]methyl]benzamide
CID 9323479
N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 42540672
methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate
CID 37215555
4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[(3-methyl-4-phenyl-2-sulfanylideneimidazol-1-yl)methyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[(3-methyl-4-phenyl-2-sulfanylideneimidazol-1-yl)methyl]amino]methyl]benzamide (CID 9323972) is N-methyl-4-[[methyl-[(3-methyl-4-phenyl-2-sulfanylideneimidazol-1-yl)methyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[(3-methyl-4-phenyl-2-sulfanylideneimidazol-1-yl)methyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[(3-methyl-4-phenyl-2-sulfanylideneimidazol-1-yl)methyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)Cn2cc(-c3ccccc3)n(C)c2=S)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[(3-methyl-4-phenyl-2-sulfanylideneimidazol-1-yl)methyl]amino]methyl]benzamide?
The InChIKey is ZZHJMGMINSOGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-22-20(26)18-11-9-16(10-12-18)13-23(2)15-25-14-19(24(3)21(25)27)17-7-5-4-6-8-17/h4-12,14H,13,15H2,1-3H3,(H,22,26).
What are the key properties of N-methyl-4-[[methyl-[(3-methyl-4-phenyl-2-sulfanylideneimidazol-1-yl)methyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[(3-methyl-4-phenyl-2-sulfanylideneimidazol-1-yl)methyl]amino]methyl]benzamide has a molecular weight of 380.52 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[(3-methyl-4-phenyl-2-sulfanylideneimidazol-1-yl)methyl]amino]methyl]benzamide is sourced from PubChem (CID 9323972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).