1-benzyl-4-(furan-2-yl)-8-methyl-3H-1,5-benzodiazepin-2-one

C21H18N2O2 — CID 66486461

IUPAC1-benzyl-4-(furan-2-yl)-8-methyl-3H-1,5-benzodiazepin-2-one
SMILESCc1ccc2c(c1)N(Cc1ccccc1)C(=O)CC(c1ccco1)=N2
InChIInChI=1S/C21H18N2O2/c1-15-9-10-17-19(12-15)23(14-16-6-3-2-4-7-16)21(24)13-18(22-17)20-8-5-11-25-20/h2-12H,13-14H2,1H3
InChIKeyYQDFUZDGVYGMKM-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.65
Rot. Bonds3

About 1-benzyl-4-(furan-2-yl)-8-methyl-3H-1,5-benzodiazepin-2-one

1-benzyl-4-(furan-2-yl)-8-methyl-3H-1,5-benzodiazepin-2-one (PubChem CID 66486461) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-benzyl-4-(furan-2-yl)-8-methyl-3H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(furan-2-yl)-8-methyl-3H-1,5-benzodiazepin-2-one
PubChem CID66486461
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name1-benzyl-4-(furan-2-yl)-8-methyl-3H-1,5-benzodiazepin-2-one
SMILESCc1ccc2c(c1)N(Cc1ccccc1)C(=O)CC(c1ccco1)=N2
InChIInChI=1S/C21H18N2O2/c1-15-9-10-17-19(12-15)23(14-16-6-3-2-4-7-16)21(24)13-18(22-17)20-8-5-11-25-20/h2-12H,13-14H2,1H3
InChIKeyYQDFUZDGVYGMKM-UHFFFAOYSA-N
XLogP4.65
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-4-(furan-2-yl)-8-methyl-3H-1,5-benzodiazepin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide
CID 644432
4-(Furan-2-yl)-1,3-dihydro-1,5-benzodiazepin-2-one
CID 644707
Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-
CID 3071255
N-tert-butyl-2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]-2-phenylacetamide
CID 53383343
3-(Furan-2-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 71523535
1-(5-(4-(dimethylamino)phenyl)-3-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 47081872
N-[4-(dimethylamino)benzyl]-N-[3-(furan-2-yl)-3-phenylpropyl]acetamide
CID 3737857
N-benzyl-4-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)-N-phenylbutanamide
CID 25854386
4-(Furan-2-ylmethyl)-6-phenyl-2-[3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one
CID 76315131
5-acetyl-6-[4-(diethylamino)phenyl]-9-(furan-2-yl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 3560238
1-{11-[4-(diethylamino)phenyl]-3-(furan-2-yl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}hexan-1-one
CID 3134417
N-[(E)-3-(furan-2-yl)prop-2-enyl]-N-(4-methylphenyl)benzamide
CID 134918144

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(furan-2-yl)-8-methyl-3H-1,5-benzodiazepin-2-one?
The IUPAC name of 1-benzyl-4-(furan-2-yl)-8-methyl-3H-1,5-benzodiazepin-2-one (CID 66486461) is 1-benzyl-4-(furan-2-yl)-8-methyl-3H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 1-benzyl-4-(furan-2-yl)-8-methyl-3H-1,5-benzodiazepin-2-one?
The canonical SMILES for 1-benzyl-4-(furan-2-yl)-8-methyl-3H-1,5-benzodiazepin-2-one is Cc1ccc2c(c1)N(Cc1ccccc1)C(=O)CC(c1ccco1)=N2.
What is the InChIKey of 1-benzyl-4-(furan-2-yl)-8-methyl-3H-1,5-benzodiazepin-2-one?
The InChIKey is YQDFUZDGVYGMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-15-9-10-17-19(12-15)23(14-16-6-3-2-4-7-16)21(24)13-18(22-17)20-8-5-11-25-20/h2-12H,13-14H2,1H3.
What are the key properties of 1-benzyl-4-(furan-2-yl)-8-methyl-3H-1,5-benzodiazepin-2-one?
1-benzyl-4-(furan-2-yl)-8-methyl-3H-1,5-benzodiazepin-2-one has a molecular weight of 330.39 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(furan-2-yl)-8-methyl-3H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 66486461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).