5-(2-fluorophenyl)-3-(1H-indol-2-ylmethylamino)-1,3-dihydro-1,4-benzodiazepin-2-one

C24H19FN4O — CID 14208239

IUPAC5-(2-fluorophenyl)-3-(1H-indol-2-ylmethylamino)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2F)=NC1NCc1cc2ccccc2[nH]1
InChIInChI=1S/C24H19FN4O/c25-19-10-4-2-8-17(19)22-18-9-3-6-12-21(18)28-24(30)23(29-22)26-14-16-13-15-7-1-5-11-20(15)27-16/h1-13,23,26-27H,14H2,(H,28,30)
InChIKeyPXZGQUZGZQPEDJ-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.21
Rot. Bonds4

About 5-(2-fluorophenyl)-3-(1H-indol-2-ylmethylamino)-1,3-dihydro-1,4-benzodiazepin-2-one

5-(2-fluorophenyl)-3-(1H-indol-2-ylmethylamino)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 14208239) has the molecular formula C24H19FN4O and a molecular weight of 398.44 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-(1H-indol-2-ylmethylamino)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-(1H-indol-2-ylmethylamino)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID14208239
Molecular FormulaC24H19FN4O
Molecular Weight398.44 g/mol
Exact Mass398.15
IUPAC Name5-(2-fluorophenyl)-3-(1H-indol-2-ylmethylamino)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2F)=NC1NCc1cc2ccccc2[nH]1
InChIInChI=1S/C24H19FN4O/c25-19-10-4-2-8-17(19)22-18-9-3-6-12-21(18)28-24(30)23(29-22)26-14-16-13-15-7-1-5-11-20(15)27-16/h1-13,23,26-27H,14H2,(H,28,30)
InChIKeyPXZGQUZGZQPEDJ-UHFFFAOYSA-N
XLogP4.21
TPSA69.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(2-fluorophenyl)-3-(1H-indol-2-ylmethylamino)-1,3-dihydro-1,4-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

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-(1H-indol-2-ylmethylamino)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 5-(2-fluorophenyl)-3-(1H-indol-2-ylmethylamino)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 14208239) is 5-(2-fluorophenyl)-3-(1H-indol-2-ylmethylamino)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 5-(2-fluorophenyl)-3-(1H-indol-2-ylmethylamino)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 5-(2-fluorophenyl)-3-(1H-indol-2-ylmethylamino)-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccccc2C(c2ccccc2F)=NC1NCc1cc2ccccc2[nH]1.
What is the InChIKey of 5-(2-fluorophenyl)-3-(1H-indol-2-ylmethylamino)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is PXZGQUZGZQPEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O/c25-19-10-4-2-8-17(19)22-18-9-3-6-12-21(18)28-24(30)23(29-22)26-14-16-13-15-7-1-5-11-20(15)27-16/h1-13,23,26-27H,14H2,(H,28,30).
What are the key properties of 5-(2-fluorophenyl)-3-(1H-indol-2-ylmethylamino)-1,3-dihydro-1,4-benzodiazepin-2-one?
5-(2-fluorophenyl)-3-(1H-indol-2-ylmethylamino)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 398.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-(1H-indol-2-ylmethylamino)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 14208239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).