2-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide

C22H17FN4O — CID 110526607

IUPAC2-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
SMILESO=C(N/N=C\c1ccccc1F)c1ccc2nc(Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C22H17FN4O/c23-18-9-5-4-8-17(18)14-24-27-22(28)16-10-11-19-20(13-16)26-21(25-19)12-15-6-2-1-3-7-15/h1-11,13-14H,12H2,(H,25,26)(H,27,28)/b24-14-
InChIKeyKKCHAPZVOFFXRD-OYKKKHCWSA-N
MW372.40 g/mol
LogP4.06
Rot. Bonds5

About 2-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide

2-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide (PubChem CID 110526607) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
PubChem CID110526607
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC Name2-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
SMILESO=C(N/N=C\c1ccccc1F)c1ccc2nc(Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C22H17FN4O/c23-18-9-5-4-8-17(18)14-24-27-22(28)16-10-11-19-20(13-16)26-21(25-19)12-15-6-2-1-3-7-15/h1-11,13-14H,12H2,(H,25,26)(H,27,28)/b24-14-
InChIKeyKKCHAPZVOFFXRD-OYKKKHCWSA-N
XLogP4.06
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-benzyl-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526681
2-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526687
2-benzyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526638
2-benzyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526709
2-benzyl-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526697
2-benzyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526685
2-[(Z)-[[2-[(4-methoxyphenyl)methyl]-3H-benzimidazole-5-carbonyl]hydrazinylidene]methyl]benzoic acid
CID 110526559
[4-[(Z)-[(2-benzyl-3H-benzimidazole-5-carbonyl)hydrazinylidene]methyl]phenyl] acetate
CID 110526655
2-benzyl-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526659
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
N-[(Z)-(2-fluorophenyl)methylideneamino]quinoline-6-carboxamide
CID 155530884
methyl 2-benzyl-3H-benzimidazole-5-carboxylate
CID 4915686

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide (CID 110526607) is 2-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide is O=C(N/N=C\c1ccccc1F)c1ccc2nc(Cc3ccccc3)[nH]c2c1.
What is the InChIKey of 2-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide?
The InChIKey is KKCHAPZVOFFXRD-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H17FN4O/c23-18-9-5-4-8-17(18)14-24-27-22(28)16-10-11-19-20(13-16)26-21(25-19)12-15-6-2-1-3-7-15/h1-11,13-14H,12H2,(H,25,26)(H,27,28)/b24-14-.
What are the key properties of 2-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide?
2-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110526607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).