5-(5,6-dimethoxybenzimidazol-1-yl)-3-(2-phenylethoxy)thiophene-2-carboxamide

C22H21N3O4S — CID 25263099

IUPAC5-(5,6-dimethoxybenzimidazol-1-yl)-3-(2-phenylethoxy)thiophene-2-carboxamide
SMILESCOc1cc2ncn(-c3cc(OCCc4ccccc4)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C22H21N3O4S/c1-27-17-10-15-16(11-18(17)28-2)25(13-24-15)20-12-19(21(30-20)22(23)26)29-9-8-14-6-4-3-5-7-14/h3-7,10-13H,8-9H2,1-2H3,(H2,23,26)
InChIKeyWJXHPWZUPIMHJP-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.82
Rot. Bonds8

About 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(2-phenylethoxy)thiophene-2-carboxamide

5-(5,6-dimethoxybenzimidazol-1-yl)-3-(2-phenylethoxy)thiophene-2-carboxamide (PubChem CID 25263099) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(2-phenylethoxy)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(5,6-dimethoxybenzimidazol-1-yl)-3-(2-phenylethoxy)thiophene-2-carboxamide
PubChem CID25263099
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name5-(5,6-dimethoxybenzimidazol-1-yl)-3-(2-phenylethoxy)thiophene-2-carboxamide
SMILESCOc1cc2ncn(-c3cc(OCCc4ccccc4)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C22H21N3O4S/c1-27-17-10-15-16(11-18(17)28-2)25(13-24-15)20-12-19(21(30-20)22(23)26)29-9-8-14-6-4-3-5-7-14/h3-7,10-13H,8-9H2,1-2H3,(H2,23,26)
InChIKeyWJXHPWZUPIMHJP-UHFFFAOYSA-N
XLogP3.82
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(2-phenylethoxy)thiophene-2-carboxamide?
The IUPAC name of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(2-phenylethoxy)thiophene-2-carboxamide (CID 25263099) is 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(2-phenylethoxy)thiophene-2-carboxamide.
What is the SMILES notation for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(2-phenylethoxy)thiophene-2-carboxamide?
The canonical SMILES for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(2-phenylethoxy)thiophene-2-carboxamide is COc1cc2ncn(-c3cc(OCCc4ccccc4)c(C(N)=O)s3)c2cc1OC.
What is the InChIKey of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(2-phenylethoxy)thiophene-2-carboxamide?
The InChIKey is WJXHPWZUPIMHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-27-17-10-15-16(11-18(17)28-2)25(13-24-15)20-12-19(21(30-20)22(23)26)29-9-8-14-6-4-3-5-7-14/h3-7,10-13H,8-9H2,1-2H3,(H2,23,26).
What are the key properties of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(2-phenylethoxy)thiophene-2-carboxamide?
5-(5,6-dimethoxybenzimidazol-1-yl)-3-(2-phenylethoxy)thiophene-2-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(2-phenylethoxy)thiophene-2-carboxamide is sourced from PubChem (CID 25263099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).