[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(1-methylpyrrol-2-yl)methanone

C18H17FN4O — CID 53183379

IUPAC[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCCn2cc(-c3ccccc3F)nc21
InChIInChI=1S/C18H17FN4O/c1-21-9-4-8-16(21)17(24)23-11-5-10-22-12-15(20-18(22)23)13-6-2-3-7-14(13)19/h2-4,6-9,12H,5,10-11H2,1H3
InChIKeyZZBFNDQPOXRLHD-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.08
Rot. Bonds2

About [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(1-methylpyrrol-2-yl)methanone

[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 53183379) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID53183379
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCCn2cc(-c3ccccc3F)nc21
InChIInChI=1S/C18H17FN4O/c1-21-9-4-8-16(21)17(24)23-11-5-10-22-12-15(20-18(22)23)13-6-2-3-7-14(13)19/h2-4,6-9,12H,5,10-11H2,1H3
InChIKeyZZBFNDQPOXRLHD-UHFFFAOYSA-N
XLogP3.08
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(1-methylpyrrol-2-yl)methanone 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 [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(1-methylpyrrol-2-yl)methanone (CID 53183379) is [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(1-methylpyrrol-2-yl)methanone is Cn1cccc1C(=O)N1CCCn2cc(-c3ccccc3F)nc21.
What is the InChIKey of [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is ZZBFNDQPOXRLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-21-9-4-8-16(21)17(24)23-11-5-10-22-12-15(20-18(22)23)13-6-2-3-7-14(13)19/h2-4,6-9,12H,5,10-11H2,1H3.
What are the key properties of [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(1-methylpyrrol-2-yl)methanone?
[2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 324.36 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 53183379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).