N-[3-(1-ethylbenzimidazol-2-yl)phenyl]thiophene-2-carboxamide

C20H17N3OS — CID 118728846

IUPACN-[3-(1-ethylbenzimidazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESCCn1c(-c2cccc(NC(=O)c3cccs3)c2)nc2ccccc21
InChIInChI=1S/C20H17N3OS/c1-2-23-17-10-4-3-9-16(17)22-19(23)14-7-5-8-15(13-14)21-20(24)18-11-6-12-25-18/h3-13H,2H2,1H3,(H,21,24)
InChIKeyWCOIJYPZVKLCBW-UHFFFAOYSA-N
MW347.44 g/mol
LogP5.04
Rot. Bonds4

About N-[3-(1-ethylbenzimidazol-2-yl)phenyl]thiophene-2-carboxamide

N-[3-(1-ethylbenzimidazol-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 118728846) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[3-(1-ethylbenzimidazol-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-ethylbenzimidazol-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID118728846
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC NameN-[3-(1-ethylbenzimidazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESCCn1c(-c2cccc(NC(=O)c3cccs3)c2)nc2ccccc21
InChIInChI=1S/C20H17N3OS/c1-2-23-17-10-4-3-9-16(17)22-19(23)14-7-5-8-15(13-14)21-20(24)18-11-6-12-25-18/h3-13H,2H2,1H3,(H,21,24)
InChIKeyWCOIJYPZVKLCBW-UHFFFAOYSA-N
XLogP5.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethylbenzimidazol-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(1-ethylbenzimidazol-2-yl)phenyl]thiophene-2-carboxamide (CID 118728846) is N-[3-(1-ethylbenzimidazol-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(1-ethylbenzimidazol-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(1-ethylbenzimidazol-2-yl)phenyl]thiophene-2-carboxamide is CCn1c(-c2cccc(NC(=O)c3cccs3)c2)nc2ccccc21.
What is the InChIKey of N-[3-(1-ethylbenzimidazol-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is WCOIJYPZVKLCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-2-23-17-10-4-3-9-16(17)22-19(23)14-7-5-8-15(13-14)21-20(24)18-11-6-12-25-18/h3-13H,2H2,1H3,(H,21,24).
What are the key properties of N-[3-(1-ethylbenzimidazol-2-yl)phenyl]thiophene-2-carboxamide?
N-[3-(1-ethylbenzimidazol-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-ethylbenzimidazol-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 118728846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).