N-[1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide

C20H25N3O2 — CID 660245

IUPACN-[1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
SMILESCCCCCCn1c(C(C)NC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C20H25N3O2/c1-3-4-5-8-13-23-17-11-7-6-10-16(17)22-19(23)15(2)21-20(24)18-12-9-14-25-18/h6-7,9-12,14-15H,3-5,8,13H2,1-2H3,(H,21,24)
InChIKeyKZLPAAATSBKGPW-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.70
Rot. Bonds8

About N-[1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide

N-[1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide (PubChem CID 660245) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
PubChem CID660245
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
SMILESCCCCCCn1c(C(C)NC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C20H25N3O2/c1-3-4-5-8-13-23-17-11-7-6-10-16(17)22-19(23)15(2)21-20(24)18-12-9-14-25-18/h6-7,9-12,14-15H,3-5,8,13H2,1-2H3,(H,21,24)
InChIKeyKZLPAAATSBKGPW-UHFFFAOYSA-N
XLogP4.70
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide (CID 660245) is N-[1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide is CCCCCCn1c(C(C)NC(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-[1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide?
The InChIKey is KZLPAAATSBKGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-4-5-8-13-23-17-11-7-6-10-16(17)22-19(23)15(2)21-20(24)18-12-9-14-25-18/h6-7,9-12,14-15H,3-5,8,13H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide?
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 660245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).