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

C22H21N3O3S — CID 16973793

IUPACN-[[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
SMILESCOc1ccc(OCCn2c(CNC(=O)c3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C22H21N3O3S/c1-27-16-8-10-17(11-9-16)28-13-12-25-19-6-3-2-5-18(19)24-21(25)15-23-22(26)20-7-4-14-29-20/h2-11,14H,12-13,15H2,1H3,(H,23,26)
InChIKeyHROUYZNXFGRXEY-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.12
Rot. Bonds8

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

N-[[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 16973793) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
PubChem CID16973793
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC NameN-[[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
SMILESCOc1ccc(OCCn2c(CNC(=O)c3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C22H21N3O3S/c1-27-16-8-10-17(11-9-16)28-13-12-25-19-6-3-2-5-18(19)24-21(25)15-23-22(26)20-7-4-14-29-20/h2-11,14H,12-13,15H2,1H3,(H,23,26)
InChIKeyHROUYZNXFGRXEY-UHFFFAOYSA-N
XLogP4.12
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(4-phenoxybutyl)benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973825
N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973840
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973845
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973758
N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973816
N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975607
N-[3-[1-(2-phenoxyethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982081
N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973776
N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994844
4-methoxy-N-[[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008749
N-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975651
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005925

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide (CID 16973793) is N-[[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide is COc1ccc(OCCn2c(CNC(=O)c3cccs3)nc3ccccc32)cc1.
What is the InChIKey of N-[[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is HROUYZNXFGRXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-27-16-8-10-17(11-9-16)28-13-12-25-19-6-3-2-5-18(19)24-21(25)15-23-22(26)20-7-4-14-29-20/h2-11,14H,12-13,15H2,1H3,(H,23,26).
What are the key properties of N-[[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
N-[[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 4.12, 8 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]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 16973793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).