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

C23H23FN4O — CID 91905762

IUPAC(3-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone
SMILESCN1Cc2ccccc2-n2ccnc2C12CCN(C(=O)c1cccc(F)c1)CC2
InChIInChI=1S/C23H23FN4O/c1-26-16-18-5-2-3-8-20(18)28-14-11-25-22(28)23(26)9-12-27(13-10-23)21(29)17-6-4-7-19(24)15-17/h2-8,11,14-15H,9-10,12-13,16H2,1H3
InChIKeyBNNFMEUOOZAYFN-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.59
Rot. Bonds1

About (3-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone

(3-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone (PubChem CID 91905762) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is (3-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone
PubChem CID91905762
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name(3-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone
SMILESCN1Cc2ccccc2-n2ccnc2C12CCN(C(=O)c1cccc(F)c1)CC2
InChIInChI=1S/C23H23FN4O/c1-26-16-18-5-2-3-8-20(18)28-14-11-25-22(28)23(26)9-12-27(13-10-23)21(29)17-6-4-7-19(24)15-17/h2-8,11,14-15H,9-10,12-13,16H2,1H3
InChIKeyBNNFMEUOOZAYFN-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 (3-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone (CID 91905762) is (3-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone is CN1Cc2ccccc2-n2ccnc2C12CCN(C(=O)c1cccc(F)c1)CC2.
What is the InChIKey of (3-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is BNNFMEUOOZAYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-26-16-18-5-2-3-8-20(18)28-14-11-25-22(28)23(26)9-12-27(13-10-23)21(29)17-6-4-7-19(24)15-17/h2-8,11,14-15H,9-10,12-13,16H2,1H3.
What are the key properties of (3-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone?
(3-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 (3-fluorophenyl)-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 91905762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).