1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one

C21H24N4O — CID 133282678

IUPAC1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H24N4O/c26-20(12-6-9-17-7-2-1-3-8-17)24-13-15-25(16-14-24)21-22-18-10-4-5-11-19(18)23-21/h1-5,7-8,10-11H,6,9,12-16H2,(H,22,23)
InChIKeyJZGFSNPNUDJYFK-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.23
Rot. Bonds5

About 1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one

1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one (PubChem CID 133282678) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one
PubChem CID133282678
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H24N4O/c26-20(12-6-9-17-7-2-1-3-8-17)24-13-15-25(16-14-24)21-22-18-10-4-5-11-19(18)23-21/h1-5,7-8,10-11H,6,9,12-16H2,(H,22,23)
InChIKeyJZGFSNPNUDJYFK-UHFFFAOYSA-N
XLogP3.23
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-4-(5-bromothiophen-2-yl)butan-1-one
CID 86885032
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 133410090
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496
(3R)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-hydroxy-4-methylpentan-1-one
CID 97331869
4-phenyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]butan-1-one
CID 133371959
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 44565640
3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one
CID 17446698
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 35348246
4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid
CID 18425264
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 133282698
[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 25268868
1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-4-(2,3-dihydro-1,4-benzoxazin-4-yl)butane-1,4-dione
CID 56566039

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one?
The IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one (CID 133282678) is 1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one is O=C(CCCc1ccccc1)N1CCN(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one?
The InChIKey is JZGFSNPNUDJYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c26-20(12-6-9-17-7-2-1-3-8-17)24-13-15-25(16-14-24)21-22-18-10-4-5-11-19(18)23-21/h1-5,7-8,10-11H,6,9,12-16H2,(H,22,23).
What are the key properties of 1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one?
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one has a molecular weight of 348.45 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 133282678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).