(4-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone

C23H23FN4O — CID 91915552

IUPAC(4-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone
SMILESCN1Cc2ccccc2-n2ccnc2C12CCN(C(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C23H23FN4O/c1-26-16-18-4-2-3-5-20(18)28-15-12-25-22(28)23(26)10-13-27(14-11-23)21(29)17-6-8-19(24)9-7-17/h2-9,12,15H,10-11,13-14,16H2,1H3
InChIKeyMYDCNEIQNAKZQV-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.59
Rot. Bonds1

About (4-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone

(4-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone (PubChem CID 91915552) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is (4-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone
PubChem CID91915552
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name(4-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone
SMILESCN1Cc2ccccc2-n2ccnc2C12CCN(C(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C23H23FN4O/c1-26-16-18-4-2-3-5-20(18)28-15-12-25-22(28)23(26)10-13-27(14-11-23)21(29)17-6-8-19(24)9-7-17/h2-9,12,15H,10-11,13-14,16H2,1H3
InChIKeyMYDCNEIQNAKZQV-UHFFFAOYSA-N
XLogP3.59
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone (CID 91915552) is (4-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone is CN1Cc2ccccc2-n2ccnc2C12CCN(C(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of (4-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is MYDCNEIQNAKZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-26-16-18-4-2-3-5-20(18)28-15-12-25-22(28)23(26)10-13-27(14-11-23)21(29)17-6-8-19(24)9-7-17/h2-9,12,15H,10-11,13-14,16H2,1H3.
What are the key properties of (4-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone?
(4-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 390.46 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 91915552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).