1-[(E)-(4-methoxyphenyl)methylideneamino]benzimidazol-2-amine

C15H14N4O — CID 6858525

IUPAC1-[(E)-(4-methoxyphenyl)methylideneamino]benzimidazol-2-amine
SMILESCOc1ccc(/C=N/n2c(N)nc3ccccc32)cc1
InChIInChI=1S/C15H14N4O/c1-20-12-8-6-11(7-9-12)10-17-19-14-5-3-2-4-13(14)18-15(19)16/h2-10H,1H3,(H2,16,18)/b17-10+
InChIKeyMQFPPMNTMRFPQW-LICLKQGHSA-N
MW266.30 g/mol
LogP2.51
Rot. Bonds3

About 1-[(E)-(4-methoxyphenyl)methylideneamino]benzimidazol-2-amine

1-[(E)-(4-methoxyphenyl)methylideneamino]benzimidazol-2-amine (PubChem CID 6858525) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[(E)-(4-methoxyphenyl)methylideneamino]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[(E)-(4-methoxyphenyl)methylideneamino]benzimidazol-2-amine
PubChem CID6858525
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-[(E)-(4-methoxyphenyl)methylideneamino]benzimidazol-2-amine
SMILESCOc1ccc(/C=N/n2c(N)nc3ccccc32)cc1
InChIInChI=1S/C15H14N4O/c1-20-12-8-6-11(7-9-12)10-17-19-14-5-3-2-4-13(14)18-15(19)16/h2-10H,1H3,(H2,16,18)/b17-10+
InChIKeyMQFPPMNTMRFPQW-LICLKQGHSA-N
XLogP2.51
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(E)-(4-methoxyphenyl)methylideneamino]benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(4-methoxyphenyl)methylideneamino]benzimidazol-2-amine?
The IUPAC name of 1-[(E)-(4-methoxyphenyl)methylideneamino]benzimidazol-2-amine (CID 6858525) is 1-[(E)-(4-methoxyphenyl)methylideneamino]benzimidazol-2-amine.
What is the SMILES notation for 1-[(E)-(4-methoxyphenyl)methylideneamino]benzimidazol-2-amine?
The canonical SMILES for 1-[(E)-(4-methoxyphenyl)methylideneamino]benzimidazol-2-amine is COc1ccc(/C=N/n2c(N)nc3ccccc32)cc1.
What is the InChIKey of 1-[(E)-(4-methoxyphenyl)methylideneamino]benzimidazol-2-amine?
The InChIKey is MQFPPMNTMRFPQW-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14N4O/c1-20-12-8-6-11(7-9-12)10-17-19-14-5-3-2-4-13(14)18-15(19)16/h2-10H,1H3,(H2,16,18)/b17-10+.
What are the key properties of 1-[(E)-(4-methoxyphenyl)methylideneamino]benzimidazol-2-amine?
1-[(E)-(4-methoxyphenyl)methylideneamino]benzimidazol-2-amine has a molecular weight of 266.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-methoxyphenyl)methylideneamino]benzimidazol-2-amine is sourced from PubChem (CID 6858525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).