[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone

C18H20N4O2 — CID 24746801

IUPAC[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCn1c(N2CCN(C(=O)c3ccco3)CC2)nc2ccccc21
InChIInChI=1S/C18H20N4O2/c1-2-22-15-7-4-3-6-14(15)19-18(22)21-11-9-20(10-12-21)17(23)16-8-5-13-24-16/h3-8,13H,2,9-12H2,1H3
InChIKeyNXHZFVSKZQRFLR-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.61
Rot. Bonds3

About [4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 24746801) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is [4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID24746801
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCn1c(N2CCN(C(=O)c3ccco3)CC2)nc2ccccc21
InChIInChI=1S/C18H20N4O2/c1-2-22-15-7-4-3-6-14(15)19-18(22)21-11-9-20(10-12-21)17(23)16-8-5-13-24-16/h3-8,13H,2,9-12H2,1H3
InChIKeyNXHZFVSKZQRFLR-UHFFFAOYSA-N
XLogP2.61
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone (CID 24746801) is [4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone is CCn1c(N2CCN(C(=O)c3ccco3)CC2)nc2ccccc21.
What is the InChIKey of [4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is NXHZFVSKZQRFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-22-15-7-4-3-6-14(15)19-18(22)21-11-9-20(10-12-21)17(23)16-8-5-13-24-16/h3-8,13H,2,9-12H2,1H3.
What are the key properties of [4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 324.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 24746801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).