2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole

C25H25ClN2O2 — CID 16995769

IUPAC2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
SMILESCOc1cccc(OCCCCn2c(Cc3ccccc3Cl)nc3ccccc32)c1
InChIInChI=1S/C25H25ClN2O2/c1-29-20-10-8-11-21(18-20)30-16-7-6-15-28-24-14-5-4-13-23(24)27-25(28)17-19-9-2-3-12-22(19)26/h2-5,8-14,18H,6-7,15-17H2,1H3
InChIKeyOCHKXMFENDMSOM-UHFFFAOYSA-N
MW420.94 g/mol
LogP6.15
Rot. Bonds9

About 2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole

2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole (PubChem CID 16995769) has the molecular formula C25H25ClN2O2 and a molecular weight of 420.94 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
PubChem CID16995769
Molecular FormulaC25H25ClN2O2
Molecular Weight420.94 g/mol
Exact Mass420.16
IUPAC Name2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
SMILESCOc1cccc(OCCCCn2c(Cc3ccccc3Cl)nc3ccccc32)c1
InChIInChI=1S/C25H25ClN2O2/c1-29-20-10-8-11-21(18-20)30-16-7-6-15-28-24-14-5-4-13-23(24)27-25(28)17-19-9-2-3-12-22(19)26/h2-5,8-14,18H,6-7,15-17H2,1H3
InChIKeyOCHKXMFENDMSOM-UHFFFAOYSA-N
XLogP6.15
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.94
LogP ≤ 56.15
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-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16995754
2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole
CID 16995768
1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole
CID 16995771
1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996152
2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole
CID 16995725
2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16996931
2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16995712
2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol
CID 19242415
2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996440
1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997784
N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988739
N-[2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974210

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole (CID 16995769) is 2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole is COc1cccc(OCCCCn2c(Cc3ccccc3Cl)nc3ccccc32)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole?
The InChIKey is OCHKXMFENDMSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O2/c1-29-20-10-8-11-21(18-20)30-16-7-6-15-28-24-14-5-4-13-23(24)27-25(28)17-19-9-2-3-12-22(19)26/h2-5,8-14,18H,6-7,15-17H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole?
2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole has a molecular weight of 420.94 g/mol, XLogP of 6.15, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole is sourced from PubChem (CID 16995769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).