2-[(Z)-N-(benzimidazol-1-yl)-C-methylcarbonimidoyl]-4-chloro-N-methylaniline

C16H15ClN4 — CID 91391207

IUPAC2-[(Z)-N-(benzimidazol-1-yl)-C-methylcarbonimidoyl]-4-chloro-N-methylaniline
SMILESCNc1ccc(Cl)cc1/C(C)=N\n1cnc2ccccc21
InChIInChI=1S/C16H15ClN4/c1-11(13-9-12(17)7-8-14(13)18-2)20-21-10-19-15-5-3-4-6-16(15)21/h3-10,18H,1-2H3/b20-11-
InChIKeyLKBLCUZVIHNBRA-JAIQZWGSSA-N
MW298.78 g/mol
LogP4.00
Rot. Bonds3

About 2-[(Z)-N-(benzimidazol-1-yl)-C-methylcarbonimidoyl]-4-chloro-N-methylaniline

2-[(Z)-N-(benzimidazol-1-yl)-C-methylcarbonimidoyl]-4-chloro-N-methylaniline (PubChem CID 91391207) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 2-[(Z)-N-(benzimidazol-1-yl)-C-methylcarbonimidoyl]-4-chloro-N-methylaniline.

Molecular Properties

Compound Name2-[(Z)-N-(benzimidazol-1-yl)-C-methylcarbonimidoyl]-4-chloro-N-methylaniline
PubChem CID91391207
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name2-[(Z)-N-(benzimidazol-1-yl)-C-methylcarbonimidoyl]-4-chloro-N-methylaniline
SMILESCNc1ccc(Cl)cc1/C(C)=N\n1cnc2ccccc21
InChIInChI=1S/C16H15ClN4/c1-11(13-9-12(17)7-8-14(13)18-2)20-21-10-19-15-5-3-4-6-16(15)21/h3-10,18H,1-2H3/b20-11-
InChIKeyLKBLCUZVIHNBRA-JAIQZWGSSA-N
XLogP4.00
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(Z)-N-indazol-2-yl-C-methylcarbonimidoyl]-N-methylaniline
CID 91258631
4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
CID 91415552
N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinoxalin-2-amine
CID 58987662
N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinolin-2-amine
CID 58987758
4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
CID 58987656
1-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]imidazolidine-2,4-dione
CID 91500784
3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline
CID 91183805
4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90733537
3-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-5,5-dimethylimidazolidine-2,4-dione
CID 58987854
4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90885434
4-chloro-2-[(Z)-N-(4-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 91291692
3,4-dichloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylaniline
CID 58987820

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N-(benzimidazol-1-yl)-C-methylcarbonimidoyl]-4-chloro-N-methylaniline?
The IUPAC name of 2-[(Z)-N-(benzimidazol-1-yl)-C-methylcarbonimidoyl]-4-chloro-N-methylaniline (CID 91391207) is 2-[(Z)-N-(benzimidazol-1-yl)-C-methylcarbonimidoyl]-4-chloro-N-methylaniline.
What is the SMILES notation for 2-[(Z)-N-(benzimidazol-1-yl)-C-methylcarbonimidoyl]-4-chloro-N-methylaniline?
The canonical SMILES for 2-[(Z)-N-(benzimidazol-1-yl)-C-methylcarbonimidoyl]-4-chloro-N-methylaniline is CNc1ccc(Cl)cc1/C(C)=N\n1cnc2ccccc21.
What is the InChIKey of 2-[(Z)-N-(benzimidazol-1-yl)-C-methylcarbonimidoyl]-4-chloro-N-methylaniline?
The InChIKey is LKBLCUZVIHNBRA-JAIQZWGSSA-N. The full InChI is InChI=1S/C16H15ClN4/c1-11(13-9-12(17)7-8-14(13)18-2)20-21-10-19-15-5-3-4-6-16(15)21/h3-10,18H,1-2H3/b20-11-.
What are the key properties of 2-[(Z)-N-(benzimidazol-1-yl)-C-methylcarbonimidoyl]-4-chloro-N-methylaniline?
2-[(Z)-N-(benzimidazol-1-yl)-C-methylcarbonimidoyl]-4-chloro-N-methylaniline has a molecular weight of 298.78 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N-(benzimidazol-1-yl)-C-methylcarbonimidoyl]-4-chloro-N-methylaniline is sourced from PubChem (CID 91391207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).