5-(benzimidazol-1-yl)-3-[(3-methylphenyl)methoxy]thiophene-2-carboxamide

C20H17N3O2S — CID 25263076

IUPAC5-(benzimidazol-1-yl)-3-[(3-methylphenyl)methoxy]thiophene-2-carboxamide
SMILESCc1cccc(COc2cc(-n3cnc4ccccc43)sc2C(N)=O)c1
InChIInChI=1S/C20H17N3O2S/c1-13-5-4-6-14(9-13)11-25-17-10-18(26-19(17)20(21)24)23-12-22-15-7-2-3-8-16(15)23/h2-10,12H,11H2,1H3,(H2,21,24)
InChIKeyUGQFNSQKIGSKJD-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.07
Rot. Bonds5

About 5-(benzimidazol-1-yl)-3-[(3-methylphenyl)methoxy]thiophene-2-carboxamide

5-(benzimidazol-1-yl)-3-[(3-methylphenyl)methoxy]thiophene-2-carboxamide (PubChem CID 25263076) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 5-(benzimidazol-1-yl)-3-[(3-methylphenyl)methoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(benzimidazol-1-yl)-3-[(3-methylphenyl)methoxy]thiophene-2-carboxamide
PubChem CID25263076
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name5-(benzimidazol-1-yl)-3-[(3-methylphenyl)methoxy]thiophene-2-carboxamide
SMILESCc1cccc(COc2cc(-n3cnc4ccccc43)sc2C(N)=O)c1
InChIInChI=1S/C20H17N3O2S/c1-13-5-4-6-14(9-13)11-25-17-10-18(26-19(17)20(21)24)23-12-22-15-7-2-3-8-16(15)23/h2-10,12H,11H2,1H3,(H2,21,24)
InChIKeyUGQFNSQKIGSKJD-UHFFFAOYSA-N
XLogP4.07
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-yl)-3-[(3-methylphenyl)methoxy]thiophene-2-carboxamide?
The IUPAC name of 5-(benzimidazol-1-yl)-3-[(3-methylphenyl)methoxy]thiophene-2-carboxamide (CID 25263076) is 5-(benzimidazol-1-yl)-3-[(3-methylphenyl)methoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-(benzimidazol-1-yl)-3-[(3-methylphenyl)methoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-(benzimidazol-1-yl)-3-[(3-methylphenyl)methoxy]thiophene-2-carboxamide is Cc1cccc(COc2cc(-n3cnc4ccccc43)sc2C(N)=O)c1.
What is the InChIKey of 5-(benzimidazol-1-yl)-3-[(3-methylphenyl)methoxy]thiophene-2-carboxamide?
The InChIKey is UGQFNSQKIGSKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-13-5-4-6-14(9-13)11-25-17-10-18(26-19(17)20(21)24)23-12-22-15-7-2-3-8-16(15)23/h2-10,12H,11H2,1H3,(H2,21,24).
What are the key properties of 5-(benzimidazol-1-yl)-3-[(3-methylphenyl)methoxy]thiophene-2-carboxamide?
5-(benzimidazol-1-yl)-3-[(3-methylphenyl)methoxy]thiophene-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-yl)-3-[(3-methylphenyl)methoxy]thiophene-2-carboxamide is sourced from PubChem (CID 25263076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).