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

C23H23N3O4S — CID 25263100

IUPAC5-(5,6-dimethoxybenzimidazol-1-yl)-3-(3-phenylpropoxy)thiophene-2-carboxamide
SMILESCOc1cc2ncn(-c3cc(OCCCc4ccccc4)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C23H23N3O4S/c1-28-18-11-16-17(12-19(18)29-2)26(14-25-16)21-13-20(22(31-21)23(24)27)30-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-14H,6,9-10H2,1-2H3,(H2,24,27)
InChIKeyZRDJTQFOUXSKBC-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.21
Rot. Bonds9

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

5-(5,6-dimethoxybenzimidazol-1-yl)-3-(3-phenylpropoxy)thiophene-2-carboxamide (PubChem CID 25263100) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(3-phenylpropoxy)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(5,6-dimethoxybenzimidazol-1-yl)-3-(3-phenylpropoxy)thiophene-2-carboxamide
PubChem CID25263100
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name5-(5,6-dimethoxybenzimidazol-1-yl)-3-(3-phenylpropoxy)thiophene-2-carboxamide
SMILESCOc1cc2ncn(-c3cc(OCCCc4ccccc4)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C23H23N3O4S/c1-28-18-11-16-17(12-19(18)29-2)26(14-25-16)21-13-20(22(31-21)23(24)27)30-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-14H,6,9-10H2,1-2H3,(H2,24,27)
InChIKeyZRDJTQFOUXSKBC-UHFFFAOYSA-N
XLogP4.21
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(6-((4-Methyl-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-3-((1R)-1-(2-(trifluoromethyl)phenyl)ethoxy)-2-thiophenecarboxamide
CID 15983966
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-methanesulfonyl-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carboxamide
CID 10074495
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-(1H-Benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide
CID 10409707
5-[5-(3-hydroxypropoxy)-6-methoxy-1H-1,3-benzodiazol-1-yl]-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carbonitrile
CID 11584228
Gsk-319347A
CID 11626927

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(3-phenylpropoxy)thiophene-2-carboxamide?
The IUPAC name of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(3-phenylpropoxy)thiophene-2-carboxamide (CID 25263100) is 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(3-phenylpropoxy)thiophene-2-carboxamide.
What is the SMILES notation for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(3-phenylpropoxy)thiophene-2-carboxamide?
The canonical SMILES for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(3-phenylpropoxy)thiophene-2-carboxamide is COc1cc2ncn(-c3cc(OCCCc4ccccc4)c(C(N)=O)s3)c2cc1OC.
What is the InChIKey of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(3-phenylpropoxy)thiophene-2-carboxamide?
The InChIKey is ZRDJTQFOUXSKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-28-18-11-16-17(12-19(18)29-2)26(14-25-16)21-13-20(22(31-21)23(24)27)30-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-14H,6,9-10H2,1-2H3,(H2,24,27).
What are the key properties of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(3-phenylpropoxy)thiophene-2-carboxamide?
5-(5,6-dimethoxybenzimidazol-1-yl)-3-(3-phenylpropoxy)thiophene-2-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 4.21, 9 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-(3-phenylpropoxy)thiophene-2-carboxamide is sourced from PubChem (CID 25263100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).