N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide

C21H26N4OS — CID 42880316

IUPACN-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide
SMILESCCCn1c(N2CCC(NC(=O)Cc3cccs3)CC2)nc2ccccc21
InChIInChI=1S/C21H26N4OS/c1-2-11-25-19-8-4-3-7-18(19)23-21(25)24-12-9-16(10-13-24)22-20(26)15-17-6-5-14-27-17/h3-8,14,16H,2,9-13,15H2,1H3,(H,22,26)
InChIKeyBPNSGXQDAFUBNW-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.84
Rot. Bonds6

About N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide

N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide (PubChem CID 42880316) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide
PubChem CID42880316
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC NameN-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide
SMILESCCCn1c(N2CCC(NC(=O)Cc3cccs3)CC2)nc2ccccc21
InChIInChI=1S/C21H26N4OS/c1-2-11-25-19-8-4-3-7-18(19)23-21(25)24-12-9-16(10-13-24)22-20(26)15-17-6-5-14-27-17/h3-8,14,16H,2,9-13,15H2,1H3,(H,22,26)
InChIKeyBPNSGXQDAFUBNW-UHFFFAOYSA-N
XLogP3.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide (CID 42880316) is N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide is CCCn1c(N2CCC(NC(=O)Cc3cccs3)CC2)nc2ccccc21.
What is the InChIKey of N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide?
The InChIKey is BPNSGXQDAFUBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-2-11-25-19-8-4-3-7-18(19)23-21(25)24-12-9-16(10-13-24)22-20(26)15-17-6-5-14-27-17/h3-8,14,16H,2,9-13,15H2,1H3,(H,22,26).
What are the key properties of N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide?
N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide has a molecular weight of 382.53 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42880316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).