6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(furan-2-ylmethyl)benzimidazole

C21H19ClN2O2 — CID 46310252

IUPAC6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(furan-2-ylmethyl)benzimidazole
SMILESCc1ccc(OCc2nc3ccc(Cl)cc3n2Cc2ccco2)c(C)c1
InChIInChI=1S/C21H19ClN2O2/c1-14-5-8-20(15(2)10-14)26-13-21-23-18-7-6-16(22)11-19(18)24(21)12-17-4-3-9-25-17/h3-11H,12-13H2,1-2H3
InChIKeyDYPUJQCDIBSUJB-UHFFFAOYSA-N
MW366.85 g/mol
LogP5.53
Rot. Bonds5

About 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(furan-2-ylmethyl)benzimidazole

6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(furan-2-ylmethyl)benzimidazole (PubChem CID 46310252) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(furan-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(furan-2-ylmethyl)benzimidazole
PubChem CID46310252
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(furan-2-ylmethyl)benzimidazole
SMILESCc1ccc(OCc2nc3ccc(Cl)cc3n2Cc2ccco2)c(C)c1
InChIInChI=1S/C21H19ClN2O2/c1-14-5-8-20(15(2)10-14)26-13-21-23-18-7-6-16(22)11-19(18)24(21)12-17-4-3-9-25-17/h3-11H,12-13H2,1-2H3
InChIKeyDYPUJQCDIBSUJB-UHFFFAOYSA-N
XLogP5.53
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-(furan-2-ylmethyl)-2-[(2-methylphenoxy)methyl]benzimidazole
CID 46310244
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole
CID 46309156
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole
CID 46310370
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole
CID 46309291
[6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol
CID 46310204
4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine
CID 46309567
6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole
CID 46310200
1-[6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 46310271
5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole
CID 46309290
2-(2-chloroethyl)-1-(furan-2-ylmethyl)-5-methylbenzimidazole
CID 43666319
6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 115471451
6-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole
CID 115471213

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(furan-2-ylmethyl)benzimidazole?
The IUPAC name of 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(furan-2-ylmethyl)benzimidazole (CID 46310252) is 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(furan-2-ylmethyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(furan-2-ylmethyl)benzimidazole?
The canonical SMILES for 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(furan-2-ylmethyl)benzimidazole is Cc1ccc(OCc2nc3ccc(Cl)cc3n2Cc2ccco2)c(C)c1.
What is the InChIKey of 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(furan-2-ylmethyl)benzimidazole?
The InChIKey is DYPUJQCDIBSUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-14-5-8-20(15(2)10-14)26-13-21-23-18-7-6-16(22)11-19(18)24(21)12-17-4-3-9-25-17/h3-11H,12-13H2,1-2H3.
What are the key properties of 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(furan-2-ylmethyl)benzimidazole?
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(furan-2-ylmethyl)benzimidazole has a molecular weight of 366.85 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(furan-2-ylmethyl)benzimidazole is sourced from PubChem (CID 46310252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).