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

C19H17N3O4S2 — CID 25263103

IUPAC5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-2-ylmethoxy)thiophene-2-carboxamide
SMILESCOc1cc2ncn(-c3cc(OCc4cccs4)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C19H17N3O4S2/c1-24-14-6-12-13(7-15(14)25-2)22(10-21-12)17-8-16(18(28-17)19(20)23)26-9-11-4-3-5-27-11/h3-8,10H,9H2,1-2H3,(H2,20,23)
InChIKeyUKFXNDDYHAHTEM-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.84
Rot. Bonds7

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

5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-2-ylmethoxy)thiophene-2-carboxamide (PubChem CID 25263103) 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-2-ylmethoxy)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-2-ylmethoxy)thiophene-2-carboxamide
PubChem CID25263103
Molecular FormulaC19H17N3O4S2
Molecular Weight415.50 g/mol
Exact Mass415.07
IUPAC Name5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-2-ylmethoxy)thiophene-2-carboxamide
SMILESCOc1cc2ncn(-c3cc(OCc4cccs4)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C19H17N3O4S2/c1-24-14-6-12-13(7-15(14)25-2)22(10-21-12)17-8-16(18(28-17)19(20)23)26-9-11-4-3-5-27-11/h3-8,10H,9H2,1-2H3,(H2,20,23)
InChIKeyUKFXNDDYHAHTEM-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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Related Compounds

5-(5,6-Bis(methyloxy)-1H-benzimidazol-1-YL)-3-((1-(2-chlorophenyl)ethyl)oxy)-2-thiophenecarboxamide
CID 11957417
GW843682X
CID 9826308
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide
CID 25263118
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-{6-[(2S)-2,3-dihydroxypropoxy]-1H-1,3-benzodiazol-1-yl}thiophene-2-carboxamide
CID 25263120
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethoxy)phenyl]methoxy}thiophene-2-carboxamide
CID 9983158
5-(6-methoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carboxamide
CID 10253033
3-[(2-bromophenyl)methoxy]-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide
CID 10254917
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carbonitrile
CID 11625181
3-[(3-aminophenyl)methoxy]-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide
CID 11743086
5-{6-[(1-Methylpiperidin-4-Yl)oxy]-1h-Benzimidazol-1-Yl}-3-{(1r)-1-[2-(Trifluoromethyl)phenyl]ethoxy}thiophene-2-Carboxamide
CID 16050925
5-[5,6-bis(methyloxy)-1H-benzimidazol-1-yl]-3-({[2-(methylsulfonyl)phenyl]-methyl}oxy)-2-thiophenecarboxamide
CID 24281531
5-(1H-benzimidazol-1-yl)-3-[(4-methylbenzyl)oxy]-2-thiophenecarboxamide
CID 25190911

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-2-ylmethoxy)thiophene-2-carboxamide?
The IUPAC name of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-2-ylmethoxy)thiophene-2-carboxamide (CID 25263103) is 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-2-ylmethoxy)thiophene-2-carboxamide.
What is the SMILES notation for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-2-ylmethoxy)thiophene-2-carboxamide?
The canonical SMILES for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-2-ylmethoxy)thiophene-2-carboxamide is COc1cc2ncn(-c3cc(OCc4cccs4)c(C(N)=O)s3)c2cc1OC.
What is the InChIKey of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-2-ylmethoxy)thiophene-2-carboxamide?
The InChIKey is UKFXNDDYHAHTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S2/c1-24-14-6-12-13(7-15(14)25-2)22(10-21-12)17-8-16(18(28-17)19(20)23)26-9-11-4-3-5-27-11/h3-8,10H,9H2,1-2H3,(H2,20,23).
What are the key properties of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-2-ylmethoxy)thiophene-2-carboxamide?
5-(5,6-dimethoxybenzimidazol-1-yl)-3-(thiophen-2-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-2-ylmethoxy)thiophene-2-carboxamide is sourced from PubChem (CID 25263103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).