N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-methylbenzamide

C18H18N4O2 — CID 755593

IUPACN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-methylbenzamide
SMILESCc1cccc(C(=O)NN=Cc2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C18H18N4O2/c1-12-5-4-6-14(9-12)17(23)20-19-11-13-7-8-15-16(10-13)22(3)18(24)21(15)2/h4-11H,1-3H3,(H,20,23)
InChIKeyDKMFBJUHEGSTHV-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.95
Rot. Bonds3

About N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-methylbenzamide

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-methylbenzamide (PubChem CID 755593) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-methylbenzamide
PubChem CID755593
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-methylbenzamide
SMILESCc1cccc(C(=O)NN=Cc2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C18H18N4O2/c1-12-5-4-6-14(9-12)17(23)20-19-11-13-7-8-15-16(10-13)22(3)18(24)21(15)2/h4-11H,1-3H3,(H,20,23)
InChIKeyDKMFBJUHEGSTHV-UHFFFAOYSA-N
XLogP1.95
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.95
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)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-iodobenzamide
CID 45124779
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135400409
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136852017
3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
CID 5407114
N-[(Z)-furan-3-ylmethylideneamino]-3-methylbenzamide
CID 6231503
3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 916412
N-(furan-3-ylmethylideneamino)-3-methylbenzamide
CID 4923070
3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5417741
3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5499709
3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5412010
N-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]-3-methylbenzamide
CID 126221857

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-methylbenzamide?
The IUPAC name of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-methylbenzamide (CID 755593) is N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-methylbenzamide.
What is the SMILES notation for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-methylbenzamide?
The canonical SMILES for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-methylbenzamide is Cc1cccc(C(=O)NN=Cc2ccc3c(c2)n(C)c(=O)n3C)c1.
What is the InChIKey of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-methylbenzamide?
The InChIKey is DKMFBJUHEGSTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-5-4-6-14(9-12)17(23)20-19-11-13-7-8-15-16(10-13)22(3)18(24)21(15)2/h4-11H,1-3H3,(H,20,23).
What are the key properties of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-methylbenzamide?
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-methylbenzamide has a molecular weight of 322.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-methylbenzamide is sourced from PubChem (CID 755593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).