1-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)benzimidazol-5-amine

C24H24N4O2 — CID 59372981

IUPAC1-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)benzimidazol-5-amine
SMILESCOc1ccccc1-n1cnc2cc(Nc3ccc(N4CCOCC4)cc3)ccc21
InChIInChI=1S/C24H24N4O2/c1-29-24-5-3-2-4-23(24)28-17-25-21-16-19(8-11-22(21)28)26-18-6-9-20(10-7-18)27-12-14-30-15-13-27/h2-11,16-17,26H,12-15H2,1H3
InChIKeyCZGRPHUCVWOZMP-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.61
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)benzimidazol-5-amine

1-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)benzimidazol-5-amine (PubChem CID 59372981) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)benzimidazol-5-amine
PubChem CID59372981
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)benzimidazol-5-amine
SMILESCOc1ccccc1-n1cnc2cc(Nc3ccc(N4CCOCC4)cc3)ccc21
InChIInChI=1S/C24H24N4O2/c1-29-24-5-3-2-4-23(24)28-17-25-21-16-19(8-11-22(21)28)26-18-6-9-20(10-7-18)27-12-14-30-15-13-27/h2-11,16-17,26H,12-15H2,1H3
InChIKeyCZGRPHUCVWOZMP-UHFFFAOYSA-N
XLogP4.61
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)benzimidazol-5-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)benzimidazol-5-amine (CID 59372981) is 1-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)benzimidazol-5-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)benzimidazol-5-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)benzimidazol-5-amine is COc1ccccc1-n1cnc2cc(Nc3ccc(N4CCOCC4)cc3)ccc21.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)benzimidazol-5-amine?
The InChIKey is CZGRPHUCVWOZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-29-24-5-3-2-4-23(24)28-17-25-21-16-19(8-11-22(21)28)26-18-6-9-20(10-7-18)27-12-14-30-15-13-27/h2-11,16-17,26H,12-15H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)benzimidazol-5-amine?
1-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)benzimidazol-5-amine has a molecular weight of 400.48 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)benzimidazol-5-amine is sourced from PubChem (CID 59372981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).