[4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone

C23H25FN4O — CID 113201144

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone
SMILESCc1ccn2c3c(nc2c1)CCC(C(=O)N1CCN(c2ccccc2F)CC1)C3
InChIInChI=1S/C23H25FN4O/c1-16-8-9-28-21-15-17(6-7-19(21)25-22(28)14-16)23(29)27-12-10-26(11-13-27)20-5-3-2-4-18(20)24/h2-5,8-9,14,17H,6-7,10-13,15H2,1H3
InChIKeyODFTVUHWKSZRGK-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.24
Rot. Bonds2

About [4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone

[4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone (PubChem CID 113201144) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone
PubChem CID113201144
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone
SMILESCc1ccn2c3c(nc2c1)CCC(C(=O)N1CCN(c2ccccc2F)CC1)C3
InChIInChI=1S/C23H25FN4O/c1-16-8-9-28-21-15-17(6-7-19(21)25-22(28)14-16)23(29)27-12-10-26(11-13-27)20-5-3-2-4-18(20)24/h2-5,8-9,14,17H,6-7,10-13,15H2,1H3
InChIKeyODFTVUHWKSZRGK-UHFFFAOYSA-N
XLogP3.24
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-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

Related Compounds

(6S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
CID 129416249
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
1-(2-fluoro-4-methylphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55604654
[(3R)-4-(2-fluorophenyl)-3-methylpiperazin-1-yl]-[(5S)-4,5,6,7-tetrahydro-2H-benzotriazol-5-yl]methanone
CID 124726975
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methanone
CID 50783327
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(2-fluorophenyl)piperidin-4-yl]methanone
CID 17152590
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 108504673
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 109144516
(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone
CID 113201061
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110687296
2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 92681315
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120937671

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone (CID 113201144) is [4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone is Cc1ccn2c3c(nc2c1)CCC(C(=O)N1CCN(c2ccccc2F)CC1)C3.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone?
The InChIKey is ODFTVUHWKSZRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-16-8-9-28-21-15-17(6-7-19(21)25-22(28)14-16)23(29)27-12-10-26(11-13-27)20-5-3-2-4-18(20)24/h2-5,8-9,14,17H,6-7,10-13,15H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone has a molecular weight of 392.48 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone is sourced from PubChem (CID 113201144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).