2-[(4S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxyphenyl)acetamide

C19H18FN5O3 — CID 95391874

IUPAC2-[(4S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)C[C@@H]1N=C(N/N=C\c2ccc(F)cc2)NC1=O
InChIInChI=1S/C19H18FN5O3/c1-28-16-5-3-2-4-14(16)22-17(26)10-15-18(27)24-19(23-15)25-21-11-12-6-8-13(20)9-7-12/h2-9,11,15H,10H2,1H3,(H,22,26)(H2,23,24,25,27)/b21-11-/t15-/m0/s1
InChIKeyLMVBQBHBEGDQET-SYZMQFJCSA-N
MW383.38 g/mol
LogP1.64
Rot. Bonds6

About 2-[(4S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxyphenyl)acetamide

2-[(4S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 95391874) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is 2-[(4S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID95391874
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name2-[(4S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)C[C@@H]1N=C(N/N=C\c2ccc(F)cc2)NC1=O
InChIInChI=1S/C19H18FN5O3/c1-28-16-5-3-2-4-14(16)22-17(26)10-15-18(27)24-19(23-15)25-21-11-12-6-8-13(20)9-7-12/h2-9,11,15H,10H2,1H3,(H,22,26)(H2,23,24,25,27)/b21-11-/t15-/m0/s1
InChIKeyLMVBQBHBEGDQET-SYZMQFJCSA-N
XLogP1.64
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 51.64
H-Bond Donors ≤ 53
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-(2-fluorophenyl)-2-[2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 53370170
N-(2-chlorophenyl)-2-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 71964703
2-[(4S)-2-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-phenylacetamide
CID 95390796
2-[(4S)-2-[(2E)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-chlorophenyl)acetamide
CID 52902927
N-(2,4-dichlorophenyl)-2-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 53370231
2-[(4R)-2-[(2Z)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-cyano-4-fluorophenyl)acetamide
CID 95391021
N-[2-(difluoromethoxy)phenyl]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 135634616
2-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 135634438
N-(2-fluorophenyl)-2-[(4S)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 136887424
2-[(4S)-2-[(2E)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,4-difluorophenyl)acetamide
CID 52902360
2-[2-[(2E)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 53368977
2-[(4R)-2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 95390661

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(4S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxyphenyl)acetamide (CID 95391874) is 2-[(4S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(4S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)C[C@@H]1N=C(N/N=C\c2ccc(F)cc2)NC1=O.
What is the InChIKey of 2-[(4S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is LMVBQBHBEGDQET-SYZMQFJCSA-N. The full InChI is InChI=1S/C19H18FN5O3/c1-28-16-5-3-2-4-14(16)22-17(26)10-15-18(27)24-19(23-15)25-21-11-12-6-8-13(20)9-7-12/h2-9,11,15H,10H2,1H3,(H,22,26)(H2,23,24,25,27)/b21-11-/t15-/m0/s1.
What are the key properties of 2-[(4S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxyphenyl)acetamide?
2-[(4S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 383.38 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 95391874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).