2-(furan-2-yl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole

C25H28N2O2 — CID 18879439

IUPAC2-(furan-2-yl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole
SMILESCc1ccc(C(C)C)c(OCCCCn2c(-c3ccco3)nc3ccccc32)c1
InChIInChI=1S/C25H28N2O2/c1-18(2)20-13-12-19(3)17-24(20)29-15-7-6-14-27-22-10-5-4-9-21(22)26-25(27)23-11-8-16-28-23/h4-5,8-13,16-18H,6-7,14-15H2,1-3H3
InChIKeyAKHWGKYBNNTJRC-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.59
Rot. Bonds8

About 2-(furan-2-yl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole

2-(furan-2-yl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole (PubChem CID 18879439) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole.

Molecular Properties

Compound Name2-(furan-2-yl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole
PubChem CID18879439
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name2-(furan-2-yl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole
SMILESCc1ccc(C(C)C)c(OCCCCn2c(-c3ccco3)nc3ccccc32)c1
InChIInChI=1S/C25H28N2O2/c1-18(2)20-13-12-19(3)17-24(20)29-15-7-6-14-27-22-10-5-4-9-21(22)26-25(27)23-11-8-16-28-23/h4-5,8-13,16-18H,6-7,14-15H2,1-3H3
InChIKeyAKHWGKYBNNTJRC-UHFFFAOYSA-N
XLogP6.59
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenyl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole
CID 18879213
1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole
CID 18879096
N-[(1R)-1-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 26820144
1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]-2-(2-phenylethyl)benzimidazole
CID 18879267
2-(3-methylphenyl)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 17000779
[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995164
N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619791
2-(3-bromophenyl)-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazole
CID 18879111
(1S)-1-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 92716850
1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-(trifluoromethyl)benzimidazole
CID 16996795
2-(furan-2-yl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole
CID 17000212
2-ethyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996412

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole?
The IUPAC name of 2-(furan-2-yl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole (CID 18879439) is 2-(furan-2-yl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole.
What is the SMILES notation for 2-(furan-2-yl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole?
The canonical SMILES for 2-(furan-2-yl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole is Cc1ccc(C(C)C)c(OCCCCn2c(-c3ccco3)nc3ccccc32)c1.
What is the InChIKey of 2-(furan-2-yl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole?
The InChIKey is AKHWGKYBNNTJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-18(2)20-13-12-19(3)17-24(20)29-15-7-6-14-27-22-10-5-4-9-21(22)26-25(27)23-11-8-16-28-23/h4-5,8-13,16-18H,6-7,14-15H2,1-3H3.
What are the key properties of 2-(furan-2-yl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole?
2-(furan-2-yl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole has a molecular weight of 388.51 g/mol, XLogP of 6.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole is sourced from PubChem (CID 18879439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).