7-bromo-4-cyclopentyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C20H21BrN2O — CID 122635767

IUPAC7-bromo-4-cyclopentyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESO=C1CN(C2CCCC2)C(c2ccccc2)c2cc(Br)ccc2N1
InChIInChI=1S/C20H21BrN2O/c21-15-10-11-18-17(12-15)20(14-6-2-1-3-7-14)23(13-19(24)22-18)16-8-4-5-9-16/h1-3,6-7,10-12,16,20H,4-5,8-9,13H2,(H,22,24)
InChIKeyONGUXQUKVGCTHB-UHFFFAOYSA-N
MW385.31 g/mol
LogP4.74
Rot. Bonds2

About 7-bromo-4-cyclopentyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

7-bromo-4-cyclopentyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 122635767) has the molecular formula C20H21BrN2O and a molecular weight of 385.31 g/mol. Its IUPAC name is 7-bromo-4-cyclopentyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-bromo-4-cyclopentyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID122635767
Molecular FormulaC20H21BrN2O
Molecular Weight385.31 g/mol
Exact Mass384.08
IUPAC Name7-bromo-4-cyclopentyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESO=C1CN(C2CCCC2)C(c2ccccc2)c2cc(Br)ccc2N1
InChIInChI=1S/C20H21BrN2O/c21-15-10-11-18-17(12-15)20(14-6-2-1-3-7-14)23(13-19(24)22-18)16-8-4-5-9-16/h1-3,6-7,10-12,16,20H,4-5,8-9,13H2,(H,22,24)
InChIKeyONGUXQUKVGCTHB-UHFFFAOYSA-N
XLogP4.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-cyclopentyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 7-bromo-4-cyclopentyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 122635767) is 7-bromo-4-cyclopentyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-bromo-4-cyclopentyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-bromo-4-cyclopentyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is O=C1CN(C2CCCC2)C(c2ccccc2)c2cc(Br)ccc2N1.
What is the InChIKey of 7-bromo-4-cyclopentyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is ONGUXQUKVGCTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O/c21-15-10-11-18-17(12-15)20(14-6-2-1-3-7-14)23(13-19(24)22-18)16-8-4-5-9-16/h1-3,6-7,10-12,16,20H,4-5,8-9,13H2,(H,22,24).
What are the key properties of 7-bromo-4-cyclopentyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
7-bromo-4-cyclopentyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 385.31 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-cyclopentyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 122635767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).