N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide

C22H19FN4O — CID 73346310

IUPACN-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
SMILESCc1nc2ccccc2n1CCC(=O)N/N=C/c1ccc(F)c2ccccc12
InChIInChI=1S/C22H19FN4O/c1-15-25-20-8-4-5-9-21(20)27(15)13-12-22(28)26-24-14-16-10-11-19(23)18-7-3-2-6-17(16)18/h2-11,14H,12-13H2,1H3,(H,26,28)/b24-14+
InChIKeyWDGVGSVFNSQAJY-ZVHZXABRSA-N
MW374.42 g/mol
LogP4.18
Rot. Bonds5

About N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide

N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide (PubChem CID 73346310) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
PubChem CID73346310
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC NameN-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
SMILESCc1nc2ccccc2n1CCC(=O)N/N=C/c1ccc(F)c2ccccc12
InChIInChI=1S/C22H19FN4O/c1-15-25-20-8-4-5-9-21(20)27(15)13-12-22(28)26-24-14-16-10-11-19(23)18-7-3-2-6-17(16)18/h2-11,14H,12-13H2,1H3,(H,26,28)/b24-14+
InChIKeyWDGVGSVFNSQAJY-ZVHZXABRSA-N
XLogP4.18
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.18
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

N-[(E)-[4-(dimethylamino)naphthalen-1-yl]methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 73346309
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 2754894
3-(2-methylbenzimidazol-1-yl)propanehydrazide
CID 4738084
N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4173634
3-(2-benzylbenzimidazol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 136689088
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121419
3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135495779
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121440
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9121382
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121431
N-[(Z)-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9147924
2-(2-methylbenzimidazol-1-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 7387968

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide (CID 73346310) is N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide is Cc1nc2ccccc2n1CCC(=O)N/N=C/c1ccc(F)c2ccccc12.
What is the InChIKey of N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide?
The InChIKey is WDGVGSVFNSQAJY-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-15-25-20-8-4-5-9-21(20)27(15)13-12-22(28)26-24-14-16-10-11-19(23)18-7-3-2-6-17(16)18/h2-11,14H,12-13H2,1H3,(H,26,28)/b24-14+.
What are the key properties of N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide?
N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide has a molecular weight of 374.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 73346310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).