N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

C25H27N3O3 — CID 16975510

IUPACN-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCc1ccccc1OCCCCn1c(CCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C25H27N3O3/c1-19-9-2-5-12-22(19)30-17-7-6-16-28-21-11-4-3-10-20(21)27-24(28)14-15-26-25(29)23-13-8-18-31-23/h2-5,8-13,18H,6-7,14-17H2,1H3,(H,26,29)
InChIKeyJEOMDJINLWKREK-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.77
Rot. Bonds10

About N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 16975510) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID16975510
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCc1ccccc1OCCCCn1c(CCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C25H27N3O3/c1-19-9-2-5-12-22(19)30-17-7-6-16-28-21-11-4-3-10-20(21)27-24(28)14-15-26-25(29)23-13-8-18-31-23/h2-5,8-13,18H,6-7,14-17H2,1H3,(H,26,29)
InChIKeyJEOMDJINLWKREK-UHFFFAOYSA-N
XLogP4.77
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 4754686
N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975480
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
N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975478
N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975498
N-methyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 53044271
N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994673
N-[(1S)-1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100788
3-methoxy-N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978161
N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 4754691
N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975472

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 16975510) is N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is Cc1ccccc1OCCCCn1c(CCNC(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is JEOMDJINLWKREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-19-9-2-5-12-22(19)30-17-7-6-16-28-21-11-4-3-10-20(21)27-24(28)14-15-26-25(29)23-13-8-18-31-23/h2-5,8-13,18H,6-7,14-17H2,1H3,(H,26,29).
What are the key properties of N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.77, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 16975510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).