N-[3-(1-ethylbenzimidazol-2-yl)propyl]furan-2-carboxamide

C17H19N3O2 — CID 3164555

IUPACN-[3-(1-ethylbenzimidazol-2-yl)propyl]furan-2-carboxamide
SMILESCCn1c(CCCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C17H19N3O2/c1-2-20-14-8-4-3-7-13(14)19-16(20)10-5-11-18-17(21)15-9-6-12-22-15/h3-4,6-9,12H,2,5,10-11H2,1H3,(H,18,21)
InChIKeyLMDSUUCCWHLRAC-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.01
Rot. Bonds6

About N-[3-(1-ethylbenzimidazol-2-yl)propyl]furan-2-carboxamide

N-[3-(1-ethylbenzimidazol-2-yl)propyl]furan-2-carboxamide (PubChem CID 3164555) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[3-(1-ethylbenzimidazol-2-yl)propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-ethylbenzimidazol-2-yl)propyl]furan-2-carboxamide
PubChem CID3164555
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[3-(1-ethylbenzimidazol-2-yl)propyl]furan-2-carboxamide
SMILESCCn1c(CCCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C17H19N3O2/c1-2-20-14-8-4-3-7-13(14)19-16(20)10-5-11-18-17(21)15-9-6-12-22-15/h3-4,6-9,12H,2,5,10-11H2,1H3,(H,18,21)
InChIKeyLMDSUUCCWHLRAC-UHFFFAOYSA-N
XLogP3.01
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.01
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-[3-(1-ethylbenzimidazol-2-yl)propyl]furan-2-carboxamide?
The IUPAC name of N-[3-(1-ethylbenzimidazol-2-yl)propyl]furan-2-carboxamide (CID 3164555) is N-[3-(1-ethylbenzimidazol-2-yl)propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(1-ethylbenzimidazol-2-yl)propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(1-ethylbenzimidazol-2-yl)propyl]furan-2-carboxamide is CCn1c(CCCNC(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-[3-(1-ethylbenzimidazol-2-yl)propyl]furan-2-carboxamide?
The InChIKey is LMDSUUCCWHLRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-20-14-8-4-3-7-13(14)19-16(20)10-5-11-18-17(21)15-9-6-12-22-15/h3-4,6-9,12H,2,5,10-11H2,1H3,(H,18,21).
What are the key properties of N-[3-(1-ethylbenzimidazol-2-yl)propyl]furan-2-carboxamide?
N-[3-(1-ethylbenzimidazol-2-yl)propyl]furan-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 3.01, 6 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)propyl]furan-2-carboxamide is sourced from PubChem (CID 3164555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).