1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)benzimidazole

C23H20ClFN2O — CID 19243275

IUPAC1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)benzimidazole
SMILESCc1cc(OCCn2c(-c3ccc(F)cc3)nc3ccccc32)cc(C)c1Cl
InChIInChI=1S/C23H20ClFN2O/c1-15-13-19(14-16(2)22(15)24)28-12-11-27-21-6-4-3-5-20(21)26-23(27)17-7-9-18(25)10-8-17/h3-10,13-14H,11-12H2,1-2H3
InChIKeyDQVGSVCVQHPPLA-UHFFFAOYSA-N
MW394.88 g/mol
LogP6.19
Rot. Bonds5

About 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)benzimidazole

1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)benzimidazole (PubChem CID 19243275) has the molecular formula C23H20ClFN2O and a molecular weight of 394.88 g/mol. Its IUPAC name is 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)benzimidazole.

Molecular Properties

Compound Name1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)benzimidazole
PubChem CID19243275
Molecular FormulaC23H20ClFN2O
Molecular Weight394.88 g/mol
Exact Mass394.12
IUPAC Name1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)benzimidazole
SMILESCc1cc(OCCn2c(-c3ccc(F)cc3)nc3ccccc32)cc(C)c1Cl
InChIInChI=1S/C23H20ClFN2O/c1-15-13-19(14-16(2)22(15)24)28-12-11-27-21-6-4-3-5-20(21)26-23(27)17-7-9-18(25)10-8-17/h3-10,13-14H,11-12H2,1-2H3
InChIKeyDQVGSVCVQHPPLA-UHFFFAOYSA-N
XLogP6.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.88
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylbenzimidazole
CID 16995223
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000870
1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997345
1-[4-(2,6-dimethylphenoxy)butyl]-2-(4-fluorophenyl)benzimidazole
CID 19243167
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000788
2-(4-methoxyphenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879179
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002010
2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
CID 17001033
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996543
2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 17001320
1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001345

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)benzimidazole?
The IUPAC name of 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)benzimidazole (CID 19243275) is 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)benzimidazole.
What is the SMILES notation for 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)benzimidazole?
The canonical SMILES for 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)benzimidazole is Cc1cc(OCCn2c(-c3ccc(F)cc3)nc3ccccc32)cc(C)c1Cl.
What is the InChIKey of 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)benzimidazole?
The InChIKey is DQVGSVCVQHPPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O/c1-15-13-19(14-16(2)22(15)24)28-12-11-27-21-6-4-3-5-20(21)26-23(27)17-7-9-18(25)10-8-17/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)benzimidazole?
1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)benzimidazole has a molecular weight of 394.88 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)benzimidazole is sourced from PubChem (CID 19243275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).