benzyl N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)carbamate

C24H24N4O2S — CID 71660203

IUPACbenzyl N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)carbamate
SMILESO=C(Nc1cc2[nH]c(-c3cccs3)nc2cc1N1CCCCC1)OCc1ccccc1
InChIInChI=1S/C24H24N4O2S/c29-24(30-16-17-8-3-1-4-9-17)27-20-14-18-19(15-21(20)28-11-5-2-6-12-28)26-23(25-18)22-10-7-13-31-22/h1,3-4,7-10,13-15H,2,5-6,11-12,16H2,(H,25,26)(H,27,29)
InChIKeyUAXZHNBBOPMNDA-UHFFFAOYSA-N
MW432.55 g/mol
LogP6.03
Rot. Bonds5

About benzyl N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)carbamate

benzyl N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)carbamate (PubChem CID 71660203) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is benzyl N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)carbamate
PubChem CID71660203
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Namebenzyl N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)carbamate
SMILESO=C(Nc1cc2[nH]c(-c3cccs3)nc2cc1N1CCCCC1)OCc1ccccc1
InChIInChI=1S/C24H24N4O2S/c29-24(30-16-17-8-3-1-4-9-17)27-20-14-18-19(15-21(20)28-11-5-2-6-12-28)26-23(25-18)22-10-7-13-31-22/h1,3-4,7-10,13-15H,2,5-6,11-12,16H2,(H,25,26)(H,27,29)
InChIKeyUAXZHNBBOPMNDA-UHFFFAOYSA-N
XLogP6.03
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)carbamate?
The IUPAC name of benzyl N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)carbamate (CID 71660203) is benzyl N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)carbamate.
What is the SMILES notation for benzyl N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)carbamate?
The canonical SMILES for benzyl N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)carbamate is O=C(Nc1cc2[nH]c(-c3cccs3)nc2cc1N1CCCCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)carbamate?
The InChIKey is UAXZHNBBOPMNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c29-24(30-16-17-8-3-1-4-9-17)27-20-14-18-19(15-21(20)28-11-5-2-6-12-28)26-23(25-18)22-10-7-13-31-22/h1,3-4,7-10,13-15H,2,5-6,11-12,16H2,(H,25,26)(H,27,29).
What are the key properties of benzyl N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)carbamate?
benzyl N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)carbamate has a molecular weight of 432.55 g/mol, XLogP of 6.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(6-piperidin-1-yl-2-thiophen-2-yl-3H-benzimidazol-5-yl)carbamate is sourced from PubChem (CID 71660203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).