3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxybenzimidazol-1-yl)thiophene-2-carboxamide

C21H18ClN3O3S — CID 25263118

IUPAC3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxybenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCOc1ccc2ncn(-c3cc(O[C@H](C)c4ccccc4Cl)c(C(N)=O)s3)c2c1
InChIInChI=1S/C21H18ClN3O3S/c1-12(14-5-3-4-6-15(14)22)28-18-10-19(29-20(18)21(23)26)25-11-24-16-8-7-13(27-2)9-17(16)25/h3-12H,1-2H3,(H2,23,26)/t12-/m1/s1
InChIKeyYWNUJKWNTHEOIR-GFCCVEGCSA-N
MW427.91 g/mol
LogP4.99
Rot. Bonds6

About 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxybenzimidazol-1-yl)thiophene-2-carboxamide

3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxybenzimidazol-1-yl)thiophene-2-carboxamide (PubChem CID 25263118) has the molecular formula C21H18ClN3O3S and a molecular weight of 427.91 g/mol. Its IUPAC name is 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxybenzimidazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxybenzimidazol-1-yl)thiophene-2-carboxamide
PubChem CID25263118
Molecular FormulaC21H18ClN3O3S
Molecular Weight427.91 g/mol
Exact Mass427.08
IUPAC Name3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxybenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCOc1ccc2ncn(-c3cc(O[C@H](C)c4ccccc4Cl)c(C(N)=O)s3)c2c1
InChIInChI=1S/C21H18ClN3O3S/c1-12(14-5-3-4-6-15(14)22)28-18-10-19(29-20(18)21(23)26)25-11-24-16-8-7-13(27-2)9-17(16)25/h3-12H,1-2H3,(H2,23,26)/t12-/m1/s1
InChIKeyYWNUJKWNTHEOIR-GFCCVEGCSA-N
XLogP4.99
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxybenzimidazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxybenzimidazol-1-yl)thiophene-2-carboxamide (CID 25263118) is 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxybenzimidazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxybenzimidazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxybenzimidazol-1-yl)thiophene-2-carboxamide is COc1ccc2ncn(-c3cc(O[C@H](C)c4ccccc4Cl)c(C(N)=O)s3)c2c1.
What is the InChIKey of 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxybenzimidazol-1-yl)thiophene-2-carboxamide?
The InChIKey is YWNUJKWNTHEOIR-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H18ClN3O3S/c1-12(14-5-3-4-6-15(14)22)28-18-10-19(29-20(18)21(23)26)25-11-24-16-8-7-13(27-2)9-17(16)25/h3-12H,1-2H3,(H2,23,26)/t12-/m1/s1.
What are the key properties of 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxybenzimidazol-1-yl)thiophene-2-carboxamide?
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxybenzimidazol-1-yl)thiophene-2-carboxamide has a molecular weight of 427.91 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxybenzimidazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 25263118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).