N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide

C18H17FN4O — CID 9121418

IUPACN-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESC/C(=N/NC(=O)Cn1c(C)nc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O/c1-12(14-7-9-15(19)10-8-14)21-22-18(24)11-23-13(2)20-16-5-3-4-6-17(16)23/h3-10H,11H2,1-2H3,(H,22,24)/b21-12-
InChIKeyFUNLCFZHLBPYFK-MTJSOVHGSA-N
MW324.36 g/mol
LogP3.02
Rot. Bonds4

About N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide

N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide (PubChem CID 9121418) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
PubChem CID9121418
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC NameN-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESC/C(=N/NC(=O)Cn1c(C)nc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O/c1-12(14-7-9-15(19)10-8-14)21-22-18(24)11-23-13(2)20-16-5-3-4-6-17(16)23/h3-10H,11H2,1-2H3,(H,22,24)/b21-12-
InChIKeyFUNLCFZHLBPYFK-MTJSOVHGSA-N
XLogP3.02
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide
CID 9121387
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121439
N-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4040290
2-(2-methylbenzimidazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 781499
N-[1-(4-phenylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4259074
N-(1-naphthalen-2-ylethylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 5223322
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 47131203
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121419
N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4173634
2-(2-methylbenzimidazol-1-yl)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
CID 781487
2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
CID 39917000
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121307

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide (CID 9121418) is N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide is C/C(=N/NC(=O)Cn1c(C)nc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The InChIKey is FUNLCFZHLBPYFK-MTJSOVHGSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-12(14-7-9-15(19)10-8-14)21-22-18(24)11-23-13(2)20-16-5-3-4-6-17(16)23/h3-10H,11H2,1-2H3,(H,22,24)/b21-12-.
What are the key properties of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide has a molecular weight of 324.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 9121418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).