N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide

C17H16N4O — CID 4173634

IUPACN-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)NN=Cc1ccccc1
InChIInChI=1S/C17H16N4O/c1-13-19-15-9-5-6-10-16(15)21(13)12-17(22)20-18-11-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,22)
InChIKeyBHDBUQHHUVAKJB-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.50
Rot. Bonds4

About N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide

N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide (PubChem CID 4173634) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
PubChem CID4173634
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)NN=Cc1ccccc1
InChIInChI=1S/C17H16N4O/c1-13-19-15-9-5-6-10-16(15)21(13)12-17(22)20-18-11-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,22)
InChIKeyBHDBUQHHUVAKJB-UHFFFAOYSA-N
XLogP2.50
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.50
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)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9121382
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121431
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121419
2-(2-methylbenzimidazol-1-yl)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
CID 781487
N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4596288
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121440
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 136801937
N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 3673852
2-(2-methylbenzimidazol-1-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 7387968
N-[(Z)-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9147924
N-[(4-methylphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 70689683
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 57333394

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide (CID 4173634) is N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide is Cc1nc2ccccc2n1CC(=O)NN=Cc1ccccc1.
What is the InChIKey of N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide?
The InChIKey is BHDBUQHHUVAKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-13-19-15-9-5-6-10-16(15)21(13)12-17(22)20-18-11-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,22).
What are the key properties of N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide?
N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide has a molecular weight of 292.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 4173634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).