2-(2-benzylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

C26H25FN4O — CID 42536578

IUPAC2-(2-benzylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cn1c(Cc2ccccc2)nc2ccccc21)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H25FN4O/c27-21-10-12-22(13-11-21)29-14-16-30(17-15-29)26(32)19-31-24-9-5-4-8-23(24)28-25(31)18-20-6-2-1-3-7-20/h1-13H,14-19H2
InChIKeyYHHRPQUMBRKYDI-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.11
Rot. Bonds5

About 2-(2-benzylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

2-(2-benzylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 42536578) has the molecular formula C26H25FN4O and a molecular weight of 428.51 g/mol. Its IUPAC name is 2-(2-benzylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-benzylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID42536578
Molecular FormulaC26H25FN4O
Molecular Weight428.51 g/mol
Exact Mass428.20
IUPAC Name2-(2-benzylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cn1c(Cc2ccccc2)nc2ccccc21)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H25FN4O/c27-21-10-12-22(13-11-21)29-14-16-30(17-15-29)26(32)19-31-24-9-5-4-8-23(24)28-25(31)18-20-6-2-1-3-7-20/h1-13H,14-19H2
InChIKeyYHHRPQUMBRKYDI-UHFFFAOYSA-N
XLogP4.11
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 16995636
2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 45030837
2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 17032358
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 40688694
3-(2-benzylbenzimidazol-1-yl)-2-oxopropanoic acid
CID 22464938
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 5184272
2-(2-ethylsulfonylbenzimidazol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 18576772
3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione
CID 46861002
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethanone
CID 87015706
1-ethyl-5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 53061600
2-[2-[(2-benzylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide
CID 46784670

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-benzylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (CID 42536578) is 2-(2-benzylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-benzylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-benzylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is O=C(Cn1c(Cc2ccccc2)nc2ccccc21)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(2-benzylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is YHHRPQUMBRKYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O/c27-21-10-12-22(13-11-21)29-14-16-30(17-15-29)26(32)19-31-24-9-5-4-8-23(24)28-25(31)18-20-6-2-1-3-7-20/h1-13H,14-19H2.
What are the key properties of 2-(2-benzylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
2-(2-benzylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 428.51 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 42536578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).