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

C21H25N3O4S — CID 25263102

IUPAC3-(cyclohexylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCOc1cc2ncn(-c3cc(OCC4CCCCC4)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C21H25N3O4S/c1-26-16-8-14-15(9-17(16)27-2)24(12-23-14)19-10-18(20(29-19)21(22)25)28-11-13-6-4-3-5-7-13/h8-10,12-13H,3-7,11H2,1-2H3,(H2,22,25)
InChIKeyWLALQQYUBWGRLL-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.16
Rot. Bonds7

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

3-(cyclohexylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide (PubChem CID 25263102) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
PubChem CID25263102
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name3-(cyclohexylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCOc1cc2ncn(-c3cc(OCC4CCCCC4)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C21H25N3O4S/c1-26-16-8-14-15(9-17(16)27-2)24(12-23-14)19-10-18(20(29-19)21(22)25)28-11-13-6-4-3-5-7-13/h8-10,12-13H,3-7,11H2,1-2H3,(H2,22,25)
InChIKeyWLALQQYUBWGRLL-UHFFFAOYSA-N
XLogP4.16
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-(cyclohexylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide (CID 25263102) is 3-(cyclohexylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(cyclohexylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-(cyclohexylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide is COc1cc2ncn(-c3cc(OCC4CCCCC4)c(C(N)=O)s3)c2cc1OC.
What is the InChIKey of 3-(cyclohexylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide?
The InChIKey is WLALQQYUBWGRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-26-16-8-14-15(9-17(16)27-2)24(12-23-14)19-10-18(20(29-19)21(22)25)28-11-13-6-4-3-5-7-13/h8-10,12-13H,3-7,11H2,1-2H3,(H2,22,25).
What are the key properties of 3-(cyclohexylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide?
3-(cyclohexylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 25263102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).