2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine

C24H26N2O2 — CID 614407

IUPAC2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
SMILESCOc1ccc(C2CC(C)(c3ccc(OC)cc3)Nc3ccccc3N2)cc1
InChIInChI=1S/C24H26N2O2/c1-24(18-10-14-20(28-3)15-11-18)16-23(17-8-12-19(27-2)13-9-17)25-21-6-4-5-7-22(21)26-24/h4-15,23,25-26H,16H2,1-3H3
InChIKeyIWKLXNHIGJNDLO-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.59
Rot. Bonds4

About 2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine

2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine (PubChem CID 614407) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine.

Molecular Properties

Compound Name2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
PubChem CID614407
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
SMILESCOc1ccc(C2CC(C)(c3ccc(OC)cc3)Nc3ccccc3N2)cc1
InChIInChI=1S/C24H26N2O2/c1-24(18-10-14-20(28-3)15-11-18)16-23(17-8-12-19(27-2)13-9-17)25-21-6-4-5-7-22(21)26-24/h4-15,23,25-26H,16H2,1-3H3
InChIKeyIWKLXNHIGJNDLO-UHFFFAOYSA-N
XLogP5.59
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_C(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine?
The IUPAC name of 2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine (CID 614407) is 2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine.
What is the SMILES notation for 2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine?
The canonical SMILES for 2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine is COc1ccc(C2CC(C)(c3ccc(OC)cc3)Nc3ccccc3N2)cc1.
What is the InChIKey of 2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine?
The InChIKey is IWKLXNHIGJNDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-24(18-10-14-20(28-3)15-11-18)16-23(17-8-12-19(27-2)13-9-17)25-21-6-4-5-7-22(21)26-24/h4-15,23,25-26H,16H2,1-3H3.
What are the key properties of 2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine?
2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine has a molecular weight of 374.48 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine is sourced from PubChem (CID 614407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).