2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide

C25H23FN6O — CID 133417256

IUPAC2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCc1cc(N2CCN(CC(=O)Nc3ccccc3F)CC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C25H23FN6O/c1-17-14-24(32-22-9-5-4-8-21(22)29-25(32)18(17)15-27)31-12-10-30(11-13-31)16-23(33)28-20-7-3-2-6-19(20)26/h2-9,14H,10-13,16H2,1H3,(H,28,33)
InChIKeyUVKBUUDQICQBPI-UHFFFAOYSA-N
MW442.50 g/mol
LogP3.57
Rot. Bonds4

About 2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide

2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 133417256) has the molecular formula C25H23FN6O and a molecular weight of 442.50 g/mol. Its IUPAC name is 2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID133417256
Molecular FormulaC25H23FN6O
Molecular Weight442.50 g/mol
Exact Mass442.19
IUPAC Name2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCc1cc(N2CCN(CC(=O)Nc3ccccc3F)CC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C25H23FN6O/c1-17-14-24(32-22-9-5-4-8-21(22)29-25(32)18(17)15-27)31-12-10-30(11-13-31)16-23(33)28-20-7-3-2-6-19(20)26/h2-9,14H,10-13,16H2,1H3,(H,28,33)
InChIKeyUVKBUUDQICQBPI-UHFFFAOYSA-N
XLogP3.57
TPSA76.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]acetamide
CID 24632807
1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-methylpiperidine-4-carboxamide
CID 24632833
N-(2-fluorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetamide
CID 133417231
3-methyl-1-piperazin-1-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 726802
1-[1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperidin-4-yl]-3-phenylurea
CID 60570202
1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 78898536
3-methyl-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 986224
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133276330
1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-ethylazetidine-3-carboxamide
CID 99814095
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 17436066
1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 24632802
3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 24592252

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide (CID 133417256) is 2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide is Cc1cc(N2CCN(CC(=O)Nc3ccccc3F)CC2)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is UVKBUUDQICQBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O/c1-17-14-24(32-22-9-5-4-8-21(22)29-25(32)18(17)15-27)31-12-10-30(11-13-31)16-23(33)28-20-7-3-2-6-19(20)26/h2-9,14H,10-13,16H2,1H3,(H,28,33).
What are the key properties of 2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 442.50 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 133417256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).