N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide

C21H17N5O — CID 3673852

IUPACN-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccccn2)nc2ccccc21)NN=Cc1ccccc1
InChIInChI=1S/C21H17N5O/c27-20(25-23-14-16-8-2-1-3-9-16)15-26-19-12-5-4-10-17(19)24-21(26)18-11-6-7-13-22-18/h1-14H,15H2,(H,25,27)
InChIKeyHPNNWWPRUADGCY-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.25
Rot. Bonds5

About N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide

N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide (PubChem CID 3673852) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
PubChem CID3673852
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC NameN-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccccn2)nc2ccccc21)NN=Cc1ccccc1
InChIInChI=1S/C21H17N5O/c27-20(25-23-14-16-8-2-1-3-9-16)15-26-19-12-5-4-10-17(19)24-21(26)18-11-6-7-13-22-18/h1-14H,15H2,(H,25,27)
InChIKeyHPNNWWPRUADGCY-UHFFFAOYSA-N
XLogP3.25
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 135613980
N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4173634
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 3669972
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 57333394
[2-[[[2-(2-pyridin-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenyl] 3-(furan-2-yl)prop-2-enoate
CID 3731846
[2-[(E)-[[2-(2-pyridin-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 41019568
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121419
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121431
N-(1,3-benzothiazol-2-yl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 30867708
N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 5165448
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9121382
N-[(4-methylphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 70689683

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide (CID 3673852) is N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide is O=C(Cn1c(-c2ccccn2)nc2ccccc21)NN=Cc1ccccc1.
What is the InChIKey of N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The InChIKey is HPNNWWPRUADGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c27-20(25-23-14-16-8-2-1-3-9-16)15-26-19-12-5-4-10-17(19)24-21(26)18-11-6-7-13-22-18/h1-14H,15H2,(H,25,27).
What are the key properties of N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide has a molecular weight of 355.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 3673852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).