N-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide

C21H19N3O3S — CID 1169322

IUPACN-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc(OCCn2c(NC(=O)c3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C21H19N3O3S/c1-26-15-8-10-16(11-9-15)27-13-12-24-18-6-3-2-5-17(18)22-21(24)23-20(25)19-7-4-14-28-19/h2-11,14H,12-13H2,1H3,(H,22,23,25)
InChIKeyKSYOQQCCPBYQFG-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.44
Rot. Bonds7

About N-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide

N-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide (PubChem CID 1169322) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide
PubChem CID1169322
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc(OCCn2c(NC(=O)c3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C21H19N3O3S/c1-26-15-8-10-16(11-9-15)27-13-12-24-18-6-3-2-5-17(18)22-21(24)23-20(25)19-7-4-14-28-19/h2-11,14H,12-13H2,1H3,(H,22,23,25)
InChIKeyKSYOQQCCPBYQFG-UHFFFAOYSA-N
XLogP4.44
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide (CID 1169322) is N-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide is COc1ccc(OCCn2c(NC(=O)c3cccs3)nc3ccccc32)cc1.
What is the InChIKey of N-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide?
The InChIKey is KSYOQQCCPBYQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-26-15-8-10-16(11-9-15)27-13-12-24-18-6-3-2-5-17(18)22-21(24)23-20(25)19-7-4-14-28-19/h2-11,14H,12-13H2,1H3,(H,22,23,25).
What are the key properties of N-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide?
N-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 1169322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).