1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole

C22H27FN4 — CID 54195084

IUPAC1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole
SMILESCCCN1CCN(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN4/c1-2-11-25-12-14-26(15-13-25)17-22-24-20-5-3-4-6-21(20)27(22)16-18-7-9-19(23)10-8-18/h3-10H,2,11-17H2,1H3
InChIKeyPLFQVWCUFXPFIK-UHFFFAOYSA-N
MW366.48 g/mol
LogP3.75
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole

1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole (PubChem CID 54195084) has the molecular formula C22H27FN4 and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole
PubChem CID54195084
Molecular FormulaC22H27FN4
Molecular Weight366.48 g/mol
Exact Mass366.22
IUPAC Name1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole
SMILESCCCN1CCN(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN4/c1-2-11-25-12-14-26(15-13-25)17-22-24-20-5-3-4-6-21(20)27(22)16-18-7-9-19(23)10-8-18/h3-10H,2,11-17H2,1H3
InChIKeyPLFQVWCUFXPFIK-UHFFFAOYSA-N
XLogP3.75
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
CID 2985021
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole;hydrochloride
CID 171151742
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366
1-[(4-methylphenyl)methyl]-2-[(3,3,4,4-tetradeuteriopyrrolidin-1-yl)methyl]benzimidazole
CID 87065826
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295
1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 18884998
1-benzyl-2-[[4-(2,4-difluorophenyl)sulfanylpiperazin-1-yl]methyl]benzimidazole
CID 144572794
4-[(1-benzylbenzimidazol-2-yl)methyl]piperazine-1-carbaldehyde
CID 90040131
2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole
CID 6491176
2-(azepan-1-ylmethyl)-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 18885373
1-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]-2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethanone
CID 139721534

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole (CID 54195084) is 1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole is CCCN1CCN(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole?
The InChIKey is PLFQVWCUFXPFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4/c1-2-11-25-12-14-26(15-13-25)17-22-24-20-5-3-4-6-21(20)27(22)16-18-7-9-19(23)10-8-18/h3-10H,2,11-17H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole?
1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole has a molecular weight of 366.48 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole is sourced from PubChem (CID 54195084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).