[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone

C20H24N4OS — CID 651735

IUPAC[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCC(C)Cn1c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21
InChIInChI=1S/C20H24N4OS/c1-15(2)14-24-17-7-4-3-6-16(17)21-20(24)23-11-9-22(10-12-23)19(25)18-8-5-13-26-18/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyPYHASHKYGXKFJD-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.72
Rot. Bonds4

About [4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 651735) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is [4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID651735
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCC(C)Cn1c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21
InChIInChI=1S/C20H24N4OS/c1-15(2)14-24-17-7-4-3-6-16(17)21-20(24)23-11-9-22(10-12-23)19(25)18-8-5-13-26-18/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyPYHASHKYGXKFJD-UHFFFAOYSA-N
XLogP3.72
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 651735) is [4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone is CC(C)Cn1c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21.
What is the InChIKey of [4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is PYHASHKYGXKFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-15(2)14-24-17-7-4-3-6-16(17)21-20(24)23-11-9-22(10-12-23)19(25)18-8-5-13-26-18/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of [4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 368.51 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-methylpropyl)benzimidazol-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 651735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).