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

C17H15IN4O2 — CID 45124779

IUPACN-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-iodobenzamide
SMILESCn1c(=O)n(C)c2cc(/C=N/NC(=O)c3cccc(I)c3)ccc21
InChIInChI=1S/C17H15IN4O2/c1-21-14-7-6-11(8-15(14)22(2)17(21)24)10-19-20-16(23)12-4-3-5-13(18)9-12/h3-10H,1-2H3,(H,20,23)/b19-10+
InChIKeyHNNJMYQRRCBPLH-VXLYETTFSA-N
MW434.24 g/mol
LogP2.25
Rot. Bonds3

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

N-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-iodobenzamide (PubChem CID 45124779) has the molecular formula C17H15IN4O2 and a molecular weight of 434.24 g/mol. Its IUPAC name is N-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-iodobenzamide.

Molecular Properties

Compound NameN-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-iodobenzamide
PubChem CID45124779
Molecular FormulaC17H15IN4O2
Molecular Weight434.24 g/mol
Exact Mass434.02
IUPAC NameN-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-iodobenzamide
SMILESCn1c(=O)n(C)c2cc(/C=N/NC(=O)c3cccc(I)c3)ccc21
InChIInChI=1S/C17H15IN4O2/c1-21-14-7-6-11(8-15(14)22(2)17(21)24)10-19-20-16(23)12-4-3-5-13(18)9-12/h3-10H,1-2H3,(H,20,23)/b19-10+
InChIKeyHNNJMYQRRCBPLH-VXLYETTFSA-N
XLogP2.25
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-methylbenzamide
CID 755593
3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5499709
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide
CID 137020316
N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-iodobenzamide
CID 5332284
N-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide
CID 1379950
5-bromo-N-[(Z)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-7-iodo-1-benzofuran-2-carboxamide
CID 126015939
3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 41290513
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodobenzamide
CID 5435276
N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide
CID 5430843
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
propan-2-yl 2-[4-[(Z)-[(3-iodobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 126193130
N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
CID 71554995

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-iodobenzamide?
The IUPAC name of N-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-iodobenzamide (CID 45124779) is N-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-iodobenzamide.
What is the SMILES notation for N-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-iodobenzamide?
The canonical SMILES for N-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-iodobenzamide is Cn1c(=O)n(C)c2cc(/C=N/NC(=O)c3cccc(I)c3)ccc21.
What is the InChIKey of N-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-iodobenzamide?
The InChIKey is HNNJMYQRRCBPLH-VXLYETTFSA-N. The full InChI is InChI=1S/C17H15IN4O2/c1-21-14-7-6-11(8-15(14)22(2)17(21)24)10-19-20-16(23)12-4-3-5-13(18)9-12/h3-10H,1-2H3,(H,20,23)/b19-10+.
What are the key properties of N-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-iodobenzamide?
N-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-iodobenzamide has a molecular weight of 434.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-iodobenzamide is sourced from PubChem (CID 45124779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).