N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide

C25H27N3O4 — CID 4754691

IUPACN-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
SMILESCOc1ccc(OCCCn2c(CCCNC(=O)c3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C25H27N3O4/c1-30-19-11-13-20(14-12-19)31-18-6-16-28-22-8-3-2-7-21(22)27-24(28)10-4-15-26-25(29)23-9-5-17-32-23/h2-3,5,7-9,11-14,17H,4,6,10,15-16,18H2,1H3,(H,26,29)
InChIKeyQORIKLNINZMJPM-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.47
Rot. Bonds11

About N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide

N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide (PubChem CID 4754691) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
PubChem CID4754691
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
SMILESCOc1ccc(OCCCn2c(CCCNC(=O)c3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C25H27N3O4/c1-30-19-11-13-20(14-12-19)31-18-6-16-28-22-8-3-2-7-21(22)27-24(28)10-4-15-26-25(29)23-9-5-17-32-23/h2-3,5,7-9,11-14,17H,4,6,10,15-16,18H2,1H3,(H,26,29)
InChIKeyQORIKLNINZMJPM-UHFFFAOYSA-N
XLogP4.47
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975498
N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994710
N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 4754686
N-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide
CID 16981934
N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994651
N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982302
N-[3-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 16981992
N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994673
methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate
CID 16982030
N-[5-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994722
N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994676
N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964490

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide?
The IUPAC name of N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide (CID 4754691) is N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide is COc1ccc(OCCCn2c(CCCNC(=O)c3ccco3)nc3ccccc32)cc1.
What is the InChIKey of N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide?
The InChIKey is QORIKLNINZMJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-30-19-11-13-20(14-12-19)31-18-6-16-28-22-8-3-2-7-21(22)27-24(28)10-4-15-26-25(29)23-9-5-17-32-23/h2-3,5,7-9,11-14,17H,4,6,10,15-16,18H2,1H3,(H,26,29).
What are the key properties of N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide?
N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 4.47, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide is sourced from PubChem (CID 4754691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).