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

C19H21N3O5S — CID 25190914

IUPAC5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carboxamide
SMILESCOc1cc2ncn(-c3cc(OCC4CCCO4)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C19H21N3O5S/c1-24-14-6-12-13(7-15(14)25-2)22(10-21-12)17-8-16(18(28-17)19(20)23)27-9-11-4-3-5-26-11/h6-8,10-11H,3-5,9H2,1-2H3,(H2,20,23)
InChIKeyRNXPIGAWEIQILT-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.76
Rot. Bonds7

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

5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carboxamide (PubChem CID 25190914) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carboxamide
PubChem CID25190914
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carboxamide
SMILESCOc1cc2ncn(-c3cc(OCC4CCCO4)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C19H21N3O5S/c1-24-14-6-12-13(7-15(14)25-2)22(10-21-12)17-8-16(18(28-17)19(20)23)27-9-11-4-3-5-26-11/h6-8,10-11H,3-5,9H2,1-2H3,(H2,20,23)
InChIKeyRNXPIGAWEIQILT-UHFFFAOYSA-N
XLogP2.76
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carboxamide?
The IUPAC name of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carboxamide (CID 25190914) is 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carboxamide.
What is the SMILES notation for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carboxamide?
The canonical SMILES for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carboxamide is COc1cc2ncn(-c3cc(OCC4CCCO4)c(C(N)=O)s3)c2cc1OC.
What is the InChIKey of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carboxamide?
The InChIKey is RNXPIGAWEIQILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-24-14-6-12-13(7-15(14)25-2)22(10-21-12)17-8-16(18(28-17)19(20)23)27-9-11-4-3-5-26-11/h6-8,10-11H,3-5,9H2,1-2H3,(H2,20,23).
What are the key properties of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carboxamide?
5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carboxamide is sourced from PubChem (CID 25190914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).