N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide

C18H19N3O2 — CID 3164520

IUPACN-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESC=C(C)Cn1c(CCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C18H19N3O2/c1-13(2)12-21-15-7-4-3-6-14(15)20-17(21)9-10-19-18(22)16-8-5-11-23-16/h3-8,11H,1,9-10,12H2,2H3,(H,19,22)
InChIKeyHGIIKDOGACQORA-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.18
Rot. Bonds6

About N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide

N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 3164520) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID3164520
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESC=C(C)Cn1c(CCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C18H19N3O2/c1-13(2)12-21-15-7-4-3-6-14(15)20-17(21)9-10-19-18(22)16-8-5-11-23-16/h3-8,11H,1,9-10,12H2,2H3,(H,19,22)
InChIKeyHGIIKDOGACQORA-UHFFFAOYSA-N
XLogP3.18
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 3164520) is N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide is C=C(C)Cn1c(CCNC(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is HGIIKDOGACQORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13(2)12-21-15-7-4-3-6-14(15)20-17(21)9-10-19-18(22)16-8-5-11-23-16/h3-8,11H,1,9-10,12H2,2H3,(H,19,22).
What are the key properties of N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 3164520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).