N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide

C20H23N3OS — CID 4731876

IUPACN-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide
SMILESCCn1c(-c2ccc(C(=O)NC3CCCCC3)s2)nc2ccccc21
InChIInChI=1S/C20H23N3OS/c1-2-23-16-11-7-6-10-15(16)22-19(23)17-12-13-18(25-17)20(24)21-14-8-4-3-5-9-14/h6-7,10-14H,2-5,8-9H2,1H3,(H,21,24)
InChIKeyGINRAXABXFZZFB-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.85
Rot. Bonds4

About N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide

N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide (PubChem CID 4731876) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide
PubChem CID4731876
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide
SMILESCCn1c(-c2ccc(C(=O)NC3CCCCC3)s2)nc2ccccc21
InChIInChI=1S/C20H23N3OS/c1-2-23-16-11-7-6-10-15(16)22-19(23)17-12-13-18(25-17)20(24)21-14-8-4-3-5-9-14/h6-7,10-14H,2-5,8-9H2,1H3,(H,21,24)
InChIKeyGINRAXABXFZZFB-UHFFFAOYSA-N
XLogP4.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide (CID 4731876) is N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide is CCn1c(-c2ccc(C(=O)NC3CCCCC3)s2)nc2ccccc21.
What is the InChIKey of N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide?
The InChIKey is GINRAXABXFZZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-2-23-16-11-7-6-10-15(16)22-19(23)17-12-13-18(25-17)20(24)21-14-8-4-3-5-9-14/h6-7,10-14H,2-5,8-9H2,1H3,(H,21,24).
What are the key properties of N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide?
N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 4731876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).