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

C19H17N3O4S2 — CID 25263104

IUPAC5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-3-ylmethoxy)thiophene-2-carboxamide
SMILESCOc1cc2ncn(-c3cc(OCc4ccsc4)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C19H17N3O4S2/c1-24-14-5-12-13(6-15(14)25-2)22(10-21-12)17-7-16(18(28-17)19(20)23)26-8-11-3-4-27-9-11/h3-7,9-10H,8H2,1-2H3,(H2,20,23)
InChIKeyFSKPWMXAGUNAEU-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.84
Rot. Bonds7

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

5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-3-ylmethoxy)thiophene-2-carboxamide (PubChem CID 25263104) has the molecular formula C19H17N3O4S2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-3-ylmethoxy)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-3-ylmethoxy)thiophene-2-carboxamide
PubChem CID25263104
Molecular FormulaC19H17N3O4S2
Molecular Weight415.50 g/mol
Exact Mass415.07
IUPAC Name5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-3-ylmethoxy)thiophene-2-carboxamide
SMILESCOc1cc2ncn(-c3cc(OCc4ccsc4)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C19H17N3O4S2/c1-24-14-5-12-13(6-15(14)25-2)22(10-21-12)17-7-16(18(28-17)19(20)23)26-8-11-3-4-27-9-11/h3-7,9-10H,8H2,1-2H3,(H2,20,23)
InChIKeyFSKPWMXAGUNAEU-UHFFFAOYSA-N
XLogP3.84
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.84
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-(thiophen-3-ylmethoxy)thiophene-2-carboxamide?
The IUPAC name of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-3-ylmethoxy)thiophene-2-carboxamide (CID 25263104) is 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-3-ylmethoxy)thiophene-2-carboxamide.
What is the SMILES notation for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-3-ylmethoxy)thiophene-2-carboxamide?
The canonical SMILES for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-3-ylmethoxy)thiophene-2-carboxamide is COc1cc2ncn(-c3cc(OCc4ccsc4)c(C(N)=O)s3)c2cc1OC.
What is the InChIKey of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-3-ylmethoxy)thiophene-2-carboxamide?
The InChIKey is FSKPWMXAGUNAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S2/c1-24-14-5-12-13(6-15(14)25-2)22(10-21-12)17-7-16(18(28-17)19(20)23)26-8-11-3-4-27-9-11/h3-7,9-10H,8H2,1-2H3,(H2,20,23).
What are the key properties of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-3-ylmethoxy)thiophene-2-carboxamide?
5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-3-ylmethoxy)thiophene-2-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.84, 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-(thiophen-3-ylmethoxy)thiophene-2-carboxamide is sourced from PubChem (CID 25263104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).