3-[[2-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetyl]amino]-N-methylbenzamide

C20H19ClN6O3 — CID 71964784

IUPAC3-[[2-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CC2N=C(NN=Cc3ccccc3Cl)NC2=O)c1
InChIInChI=1S/C20H19ClN6O3/c1-22-18(29)12-6-4-7-14(9-12)24-17(28)10-16-19(30)26-20(25-16)27-23-11-13-5-2-3-8-15(13)21/h2-9,11,16H,10H2,1H3,(H,22,29)(H,24,28)(H2,25,26,27,30)
InChIKeySRSWMGIQITXEDV-UHFFFAOYSA-N
MW426.86 g/mol
LogP1.51
Rot. Bonds6

About 3-[[2-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetyl]amino]-N-methylbenzamide

3-[[2-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetyl]amino]-N-methylbenzamide (PubChem CID 71964784) has the molecular formula C20H19ClN6O3 and a molecular weight of 426.86 g/mol. Its IUPAC name is 3-[[2-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetyl]amino]-N-methylbenzamide
PubChem CID71964784
Molecular FormulaC20H19ClN6O3
Molecular Weight426.86 g/mol
Exact Mass426.12
IUPAC Name3-[[2-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CC2N=C(NN=Cc3ccccc3Cl)NC2=O)c1
InChIInChI=1S/C20H19ClN6O3/c1-22-18(29)12-6-4-7-14(9-12)24-17(28)10-16-19(30)26-20(25-16)27-23-11-13-5-2-3-8-15(13)21/h2-9,11,16H,10H2,1H3,(H,22,29)(H,24,28)(H2,25,26,27,30)
InChIKeySRSWMGIQITXEDV-UHFFFAOYSA-N
XLogP1.51
TPSA124.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-[(4R)-2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 136887834
2-[(4R)-2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 95390661
2-[(4S)-2-[(2E)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-chlorophenyl)acetamide
CID 52902927
N-(2-chlorophenyl)-2-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 71964703
2-[2-[(2E)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 53368977
N-[2-(difluoromethoxy)phenyl]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 135634616
N-(2,4-dichlorophenyl)-2-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 53370231
3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide
CID 8843971
3-[[2-(azetidin-3-yl)acetyl]amino]-N-methylbenzamide
CID 64612034
2-[(4R)-2-[(2Z)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-cyano-4-fluorophenyl)acetamide
CID 95391021
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide
CID 18202310

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetyl]amino]-N-methylbenzamide (CID 71964784) is 3-[[2-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CC2N=C(NN=Cc3ccccc3Cl)NC2=O)c1.
What is the InChIKey of 3-[[2-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetyl]amino]-N-methylbenzamide?
The InChIKey is SRSWMGIQITXEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O3/c1-22-18(29)12-6-4-7-14(9-12)24-17(28)10-16-19(30)26-20(25-16)27-23-11-13-5-2-3-8-15(13)21/h2-9,11,16H,10H2,1H3,(H,22,29)(H,24,28)(H2,25,26,27,30).
What are the key properties of 3-[[2-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetyl]amino]-N-methylbenzamide?
3-[[2-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetyl]amino]-N-methylbenzamide has a molecular weight of 426.86 g/mol, XLogP of 1.51, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 71964784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).