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

C24H33N3O2 — CID 16981934

IUPACN-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide
SMILESCCCCCCCCCn1c(CCCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C24H33N3O2/c1-2-3-4-5-6-7-10-18-27-21-14-9-8-13-20(21)26-23(27)16-11-17-25-24(28)22-15-12-19-29-22/h8-9,12-15,19H,2-7,10-11,16-18H2,1H3,(H,25,28)
InChIKeyPDUZVAVIPYXULX-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.74
Rot. Bonds13

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

N-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide (PubChem CID 16981934) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide
PubChem CID16981934
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide
SMILESCCCCCCCCCn1c(CCCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C24H33N3O2/c1-2-3-4-5-6-7-10-18-27-21-14-9-8-13-20(21)26-23(27)16-11-17-25-24(28)22-15-12-19-29-22/h8-9,12-15,19H,2-7,10-11,16-18H2,1H3,(H,25,28)
InChIKeyPDUZVAVIPYXULX-UHFFFAOYSA-N
XLogP5.74
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.74
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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Related Compounds

N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 4754691
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 4754686
methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate
CID 16982030
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
CID 16980528
N-[5-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994722
N-[3-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 16981992
2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
CID 16993334
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986709
N-[3-(1-decylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986712

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide?
The IUPAC name of N-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide (CID 16981934) is N-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide is CCCCCCCCCn1c(CCCNC(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide?
The InChIKey is PDUZVAVIPYXULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-2-3-4-5-6-7-10-18-27-21-14-9-8-13-20(21)26-23(27)16-11-17-25-24(28)22-15-12-19-29-22/h8-9,12-15,19H,2-7,10-11,16-18H2,1H3,(H,25,28).
What are the key properties of N-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide?
N-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 5.74, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide is sourced from PubChem (CID 16981934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).