furan-3-yl-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone

C22H22N2O2 — CID 91924152

IUPACfuran-3-yl-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone
SMILESO=C(c1ccoc1)N1CCCN(CCc2ccccc2)c2ccccc21
InChIInChI=1S/C22H22N2O2/c25-22(19-12-16-26-17-19)24-14-6-13-23(20-9-4-5-10-21(20)24)15-11-18-7-2-1-3-8-18/h1-5,7-10,12,16-17H,6,11,13-15H2
InChIKeyCXNOPAVMNHXXNW-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.38
Rot. Bonds4

About furan-3-yl-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone

furan-3-yl-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone (PubChem CID 91924152) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is furan-3-yl-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone
PubChem CID91924152
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Namefuran-3-yl-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone
SMILESO=C(c1ccoc1)N1CCCN(CCc2ccccc2)c2ccccc21
InChIInChI=1S/C22H22N2O2/c25-22(19-12-16-26-17-19)24-14-6-13-23(20-9-4-5-10-21(20)24)15-11-18-7-2-1-3-8-18/h1-5,7-10,12,16-17H,6,11,13-15H2
InChIKeyCXNOPAVMNHXXNW-UHFFFAOYSA-N
XLogP4.38
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze furan-3-yl-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone 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 furan-3-yl-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone?
The IUPAC name of furan-3-yl-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone (CID 91924152) is furan-3-yl-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone.
What is the SMILES notation for furan-3-yl-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone?
The canonical SMILES for furan-3-yl-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone is O=C(c1ccoc1)N1CCCN(CCc2ccccc2)c2ccccc21.
What is the InChIKey of furan-3-yl-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone?
The InChIKey is CXNOPAVMNHXXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-22(19-12-16-26-17-19)24-14-6-13-23(20-9-4-5-10-21(20)24)15-11-18-7-2-1-3-8-18/h1-5,7-10,12,16-17H,6,11,13-15H2.
What are the key properties of furan-3-yl-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone?
furan-3-yl-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone has a molecular weight of 346.43 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone is sourced from PubChem (CID 91924152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).