[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(3-methyloxetan-3-yl)methanone

C16H20N4O2 — CID 146022449

IUPAC[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(3-methyloxetan-3-yl)methanone
SMILESCC1(C(=O)N2CCN(c3nc4ccccc4[nH]3)CC2)COC1
InChIInChI=1S/C16H20N4O2/c1-16(10-22-11-16)14(21)19-6-8-20(9-7-19)15-17-12-4-2-3-5-13(12)18-15/h2-5H,6-11H2,1H3,(H,17,18)
InChIKeyJMHMHAIZYUMAOS-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.25
Rot. Bonds2

About [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(3-methyloxetan-3-yl)methanone

[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(3-methyloxetan-3-yl)methanone (PubChem CID 146022449) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(3-methyloxetan-3-yl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(3-methyloxetan-3-yl)methanone
PubChem CID146022449
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(3-methyloxetan-3-yl)methanone
SMILESCC1(C(=O)N2CCN(c3nc4ccccc4[nH]3)CC2)COC1
InChIInChI=1S/C16H20N4O2/c1-16(10-22-11-16)14(21)19-6-8-20(9-7-19)15-17-12-4-2-3-5-13(12)18-15/h2-5H,6-11H2,1H3,(H,17,18)
InChIKeyJMHMHAIZYUMAOS-UHFFFAOYSA-N
XLogP1.25
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 133282698
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 133410090
1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 126816820
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 44565640
(3R)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-hydroxy-4-methylpentan-1-one
CID 97331869
4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid
CID 18425264
[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)piperazin-1-yl]-4-phenylbutan-1-one
CID 133282678
2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
CID 10704647
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole
CID 75435540

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(3-methyloxetan-3-yl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(3-methyloxetan-3-yl)methanone (CID 146022449) is [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(3-methyloxetan-3-yl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(3-methyloxetan-3-yl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(3-methyloxetan-3-yl)methanone is CC1(C(=O)N2CCN(c3nc4ccccc4[nH]3)CC2)COC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(3-methyloxetan-3-yl)methanone?
The InChIKey is JMHMHAIZYUMAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-16(10-22-11-16)14(21)19-6-8-20(9-7-19)15-17-12-4-2-3-5-13(12)18-15/h2-5H,6-11H2,1H3,(H,17,18).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(3-methyloxetan-3-yl)methanone?
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(3-methyloxetan-3-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(3-methyloxetan-3-yl)methanone is sourced from PubChem (CID 146022449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).