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

C17H19N3O2 — CID 3164519

IUPACN-[2-(1-propylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
SMILESCCCn1c(CCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C17H19N3O2/c1-2-11-20-14-7-4-3-6-13(14)19-16(20)9-10-18-17(21)15-8-5-12-22-15/h3-8,12H,2,9-11H2,1H3,(H,18,21)
InChIKeyVWUDCDPKARMHIC-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.01
Rot. Bonds6

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

N-[2-(1-propylbenzimidazol-2-yl)ethyl]furan-2-carboxamide (PubChem CID 3164519) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[2-(1-propylbenzimidazol-2-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-propylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
PubChem CID3164519
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[2-(1-propylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
SMILESCCCn1c(CCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C17H19N3O2/c1-2-11-20-14-7-4-3-6-13(14)19-16(20)9-10-18-17(21)15-8-5-12-22-15/h3-8,12H,2,9-11H2,1H3,(H,18,21)
InChIKeyVWUDCDPKARMHIC-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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-propylbenzimidazol-2-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(1-propylbenzimidazol-2-yl)ethyl]furan-2-carboxamide (CID 3164519) is N-[2-(1-propylbenzimidazol-2-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(1-propylbenzimidazol-2-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(1-propylbenzimidazol-2-yl)ethyl]furan-2-carboxamide is CCCn1c(CCNC(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-[2-(1-propylbenzimidazol-2-yl)ethyl]furan-2-carboxamide?
The InChIKey is VWUDCDPKARMHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-11-20-14-7-4-3-6-13(14)19-16(20)9-10-18-17(21)15-8-5-12-22-15/h3-8,12H,2,9-11H2,1H3,(H,18,21).
What are the key properties of N-[2-(1-propylbenzimidazol-2-yl)ethyl]furan-2-carboxamide?
N-[2-(1-propylbenzimidazol-2-yl)ethyl]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-[2-(1-propylbenzimidazol-2-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 3164519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).