1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole

C25H23ClN2O — CID 18879216

IUPAC1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
SMILESClc1ccc(OCCCCn2c(/C=C/c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C25H23ClN2O/c26-21-13-15-22(16-14-21)29-19-7-6-18-28-24-11-5-4-10-23(24)27-25(28)17-12-20-8-2-1-3-9-20/h1-5,8-17H,6-7,18-19H2/b17-12+
InChIKeyNTHQQQAVERUESN-SFQUDFHCSA-N
MW402.93 g/mol
LogP6.72
Rot. Bonds8

About 1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole

1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole (PubChem CID 18879216) has the molecular formula C25H23ClN2O and a molecular weight of 402.93 g/mol. Its IUPAC name is 1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole.

Molecular Properties

Compound Name1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
PubChem CID18879216
Molecular FormulaC25H23ClN2O
Molecular Weight402.93 g/mol
Exact Mass402.15
IUPAC Name1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
SMILESClc1ccc(OCCCCn2c(/C=C/c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C25H23ClN2O/c26-21-13-15-22(16-14-21)29-19-7-6-18-28-24-11-5-4-10-23(24)27-25(28)17-12-20-8-2-1-3-9-20/h1-5,8-17H,6-7,18-19H2/b17-12+
InChIKeyNTHQQQAVERUESN-SFQUDFHCSA-N
XLogP6.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.93
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999616
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[4-(3,5-dimethylphenoxy)butyl]benzimidazole
CID 16999834
1-(3-naphthalen-2-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879224
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole
CID 16999687
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16999796
1-[4-(4-tert-butylphenoxy)butyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999729
1-[4-(2,6-dimethylphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999604
(Z)-N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970870
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole
CID 6040576
1-[2-(4-methoxyphenoxy)ethyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999685
1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole
CID 3723983
1-pentyl-2-(2-phenylethenyl)benzimidazole
CID 3761593

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole?
The IUPAC name of 1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole (CID 18879216) is 1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole.
What is the SMILES notation for 1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole?
The canonical SMILES for 1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole is Clc1ccc(OCCCCn2c(/C=C/c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole?
The InChIKey is NTHQQQAVERUESN-SFQUDFHCSA-N. The full InChI is InChI=1S/C25H23ClN2O/c26-21-13-15-22(16-14-21)29-19-7-6-18-28-24-11-5-4-10-23(24)27-25(28)17-12-20-8-2-1-3-9-20/h1-5,8-17H,6-7,18-19H2/b17-12+.
What are the key properties of 1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole?
1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole has a molecular weight of 402.93 g/mol, XLogP of 6.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole is sourced from PubChem (CID 18879216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).