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

C19H17N3O5S — CID 25263106

IUPAC5-(5,6-dimethoxybenzimidazol-1-yl)-3-(furan-2-ylmethoxy)thiophene-2-carboxamide
SMILESCOc1cc2ncn(-c3cc(OCc4ccco4)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C19H17N3O5S/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/h3-8,10H,9H2,1-2H3,(H2,20,23)
InChIKeySXMLPHKEKWTISC-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.38
Rot. Bonds7

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

5-(5,6-dimethoxybenzimidazol-1-yl)-3-(furan-2-ylmethoxy)thiophene-2-carboxamide (PubChem CID 25263106) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(furan-2-ylmethoxy)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(5,6-dimethoxybenzimidazol-1-yl)-3-(furan-2-ylmethoxy)thiophene-2-carboxamide
PubChem CID25263106
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Name5-(5,6-dimethoxybenzimidazol-1-yl)-3-(furan-2-ylmethoxy)thiophene-2-carboxamide
SMILESCOc1cc2ncn(-c3cc(OCc4ccco4)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C19H17N3O5S/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/h3-8,10H,9H2,1-2H3,(H2,20,23)
InChIKeySXMLPHKEKWTISC-UHFFFAOYSA-N
XLogP3.38
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.38
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
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethoxy)phenyl]methoxy}thiophene-2-carboxamide
CID 9983158
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-[5,6-bis(methyloxy)-1H-benzimidazol-1-yl]-3-({[2-(methylsulfonyl)phenyl]-methyl}oxy)-2-thiophenecarboxamide
CID 24281531
5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-[[4-(methylsulfonyl)phenyl]methoxy]-2-thiophenecarboxamide
CID 25190912
5-(5,6-dimethoxy-1H-benzo[d]imidazol-1-yl)-3-((tetrahydrofuran-2-yl)methoxy)thiophene-2-carboxamide
CID 25190914
3-[(2-cyanophenyl)methoxy]-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide
CID 25263093
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-[(2-acetylphenyl)methoxy]thiophene-2-carboxamide
CID 25263094
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[3-(dimethylamino)phenyl]methoxy}thiophene-2-carboxamide
CID 25263096

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(furan-2-ylmethoxy)thiophene-2-carboxamide?
The IUPAC name of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(furan-2-ylmethoxy)thiophene-2-carboxamide (CID 25263106) is 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(furan-2-ylmethoxy)thiophene-2-carboxamide.
What is the SMILES notation for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(furan-2-ylmethoxy)thiophene-2-carboxamide?
The canonical SMILES for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(furan-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-(furan-2-ylmethoxy)thiophene-2-carboxamide?
The InChIKey is SXMLPHKEKWTISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/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/h3-8,10H,9H2,1-2H3,(H2,20,23).
What are the key properties of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(furan-2-ylmethoxy)thiophene-2-carboxamide?
5-(5,6-dimethoxybenzimidazol-1-yl)-3-(furan-2-ylmethoxy)thiophene-2-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 3.38, 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-(furan-2-ylmethoxy)thiophene-2-carboxamide is sourced from PubChem (CID 25263106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).