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

C20H23N3O4S — CID 25263101

IUPAC3-(cyclopentylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCOc1cc2ncn(-c3cc(OCC4CCCC4)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C20H23N3O4S/c1-25-15-7-13-14(8-16(15)26-2)23(11-22-13)18-9-17(19(28-18)20(21)24)27-10-12-5-3-4-6-12/h7-9,11-12H,3-6,10H2,1-2H3,(H2,21,24)
InChIKeyVRMPQRSIIRANNY-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.77
Rot. Bonds7

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

3-(cyclopentylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide (PubChem CID 25263101) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-(cyclopentylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(cyclopentylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
PubChem CID25263101
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name3-(cyclopentylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCOc1cc2ncn(-c3cc(OCC4CCCC4)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C20H23N3O4S/c1-25-15-7-13-14(8-16(15)26-2)23(11-22-13)18-9-17(19(28-18)20(21)24)27-10-12-5-3-4-6-12/h7-9,11-12H,3-6,10H2,1-2H3,(H2,21,24)
InChIKeyVRMPQRSIIRANNY-UHFFFAOYSA-N
XLogP3.77
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-(cyclopentylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide (CID 25263101) is 3-(cyclopentylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(cyclopentylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-(cyclopentylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide is COc1cc2ncn(-c3cc(OCC4CCCC4)c(C(N)=O)s3)c2cc1OC.
What is the InChIKey of 3-(cyclopentylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide?
The InChIKey is VRMPQRSIIRANNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-25-15-7-13-14(8-16(15)26-2)23(11-22-13)18-9-17(19(28-18)20(21)24)27-10-12-5-3-4-6-12/h7-9,11-12H,3-6,10H2,1-2H3,(H2,21,24).
What are the key properties of 3-(cyclopentylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide?
3-(cyclopentylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethoxy)-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 25263101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).