N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide

C17H16N4O — CID 3968667

IUPACN-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1)c1nc2ccccc2n1C
InChIInChI=1S/C17H16N4O/c1-12(19-20-17(22)13-8-4-3-5-9-13)16-18-14-10-6-7-11-15(14)21(16)2/h3-11H,1-2H3,(H,20,22)
InChIKeyBDILUGVMSHGKEJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.73
Rot. Bonds3

About N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide

N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide (PubChem CID 3968667) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide.

Molecular Properties

Compound NameN-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide
PubChem CID3968667
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1)c1nc2ccccc2n1C
InChIInChI=1S/C17H16N4O/c1-12(19-20-17(22)13-8-4-3-5-9-13)16-18-14-10-6-7-11-15(14)21(16)2/h3-11H,1-2H3,(H,20,22)
InChIKeyBDILUGVMSHGKEJ-UHFFFAOYSA-N
XLogP2.73
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.73
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)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]aniline
CID 134100687
N-[(Z)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 8785024
(Z)-[(1-methylbenzimidazol-2-yl)-phenylmethylidene]hydrazine
CID 177414906
N-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide
CID 110469047
sodium 1-methylbenzimidazole-2-carboxylate
CID 131637939
N-[[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide
CID 4838698
(1-methylbenzimidazol-2-yl)-pyridin-3-ylmethanone
CID 74890600
N,1-dimethyl-N-phenylbenzimidazole-2-carboxamide
CID 110469037
1-(1-methylbenzimidazol-2-yl)pentane-1,3-dione
CID 43114701
4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 751122
N-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide
CID 110469008
N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 46804454

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide?
The IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide (CID 3968667) is N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide.
What is the SMILES notation for N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide?
The canonical SMILES for N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccccc1)c1nc2ccccc2n1C.
What is the InChIKey of N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide?
The InChIKey is BDILUGVMSHGKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12(19-20-17(22)13-8-4-3-5-9-13)16-18-14-10-6-7-11-15(14)21(16)2/h3-11H,1-2H3,(H,20,22).
What are the key properties of N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide?
N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide has a molecular weight of 292.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide is sourced from PubChem (CID 3968667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).