1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzimidazol-2-amine

C16H16N4O2 — CID 6858637

IUPAC1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzimidazol-2-amine
SMILESCOc1cccc(/C=N/n2c(N)nc3ccccc32)c1OC
InChIInChI=1S/C16H16N4O2/c1-21-14-9-5-6-11(15(14)22-2)10-18-20-13-8-4-3-7-12(13)19-16(20)17/h3-10H,1-2H3,(H2,17,19)/b18-10+
InChIKeyYYALGRBIWHKNEH-VCHYOVAHSA-N
MW296.33 g/mol
LogP2.52
Rot. Bonds4

About 1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzimidazol-2-amine

1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzimidazol-2-amine (PubChem CID 6858637) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzimidazol-2-amine
PubChem CID6858637
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzimidazol-2-amine
SMILESCOc1cccc(/C=N/n2c(N)nc3ccccc32)c1OC
InChIInChI=1S/C16H16N4O2/c1-21-14-9-5-6-11(15(14)22-2)10-18-20-13-8-4-3-7-12(13)19-16(20)17/h3-10H,1-2H3,(H2,17,19)/b18-10+
InChIKeyYYALGRBIWHKNEH-VCHYOVAHSA-N
XLogP2.52
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-(4-methoxyphenyl)methylideneamino]benzimidazol-2-amine
CID 6858525
3-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6867165
6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024279
2-amino-1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6881018
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 18282815
3-[(2,3-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126303154
4-[(2,3-dimethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 1416204
4-[(2,3-dimethoxyphenyl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 1398830
17-[(2,3-dimethoxyphenyl)methylideneamino]-13-prop-2-enyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-15-ium-12-one
CID 135402474
(Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
CID 5402147
6-bromo-2-[(2S)-butan-2-yl]-3-[(2,3-dimethoxyphenyl)methylideneamino]quinazolin-4-one
CID 126339954
4-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 35653486

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzimidazol-2-amine?
The IUPAC name of 1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzimidazol-2-amine (CID 6858637) is 1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzimidazol-2-amine.
What is the SMILES notation for 1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzimidazol-2-amine?
The canonical SMILES for 1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzimidazol-2-amine is COc1cccc(/C=N/n2c(N)nc3ccccc32)c1OC.
What is the InChIKey of 1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzimidazol-2-amine?
The InChIKey is YYALGRBIWHKNEH-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-21-14-9-5-6-11(15(14)22-2)10-18-20-13-8-4-3-7-12(13)19-16(20)17/h3-10H,1-2H3,(H2,17,19)/b18-10+.
What are the key properties of 1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzimidazol-2-amine?
1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzimidazol-2-amine has a molecular weight of 296.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzimidazol-2-amine is sourced from PubChem (CID 6858637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).