6-chloro-1-(furan-2-ylmethyl)-2-[(2-methylphenoxy)methyl]benzimidazole

C20H17ClN2O2 — CID 46310244

IUPAC6-chloro-1-(furan-2-ylmethyl)-2-[(2-methylphenoxy)methyl]benzimidazole
SMILESCc1ccccc1OCc1nc2ccc(Cl)cc2n1Cc1ccco1
InChIInChI=1S/C20H17ClN2O2/c1-14-5-2-3-7-19(14)25-13-20-22-17-9-8-15(21)11-18(17)23(20)12-16-6-4-10-24-16/h2-11H,12-13H2,1H3
InChIKeyMOXKLUJTIJQHDD-UHFFFAOYSA-N
MW352.82 g/mol
LogP5.22
Rot. Bonds5

About 6-chloro-1-(furan-2-ylmethyl)-2-[(2-methylphenoxy)methyl]benzimidazole

6-chloro-1-(furan-2-ylmethyl)-2-[(2-methylphenoxy)methyl]benzimidazole (PubChem CID 46310244) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 6-chloro-1-(furan-2-ylmethyl)-2-[(2-methylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name6-chloro-1-(furan-2-ylmethyl)-2-[(2-methylphenoxy)methyl]benzimidazole
PubChem CID46310244
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name6-chloro-1-(furan-2-ylmethyl)-2-[(2-methylphenoxy)methyl]benzimidazole
SMILESCc1ccccc1OCc1nc2ccc(Cl)cc2n1Cc1ccco1
InChIInChI=1S/C20H17ClN2O2/c1-14-5-2-3-7-19(14)25-13-20-22-17-9-8-15(21)11-18(17)23(20)12-16-6-4-10-24-16/h2-11H,12-13H2,1H3
InChIKeyMOXKLUJTIJQHDD-UHFFFAOYSA-N
XLogP5.22
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.82
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(furan-2-ylmethyl)benzimidazole
CID 46310252
[6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol
CID 46310204
6-chloro-1-(2-ethoxyethyl)-2-[(2-methylphenoxy)methyl]benzimidazole
CID 46309283
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
2-[(2-chlorophenoxy)methyl]-1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazole
CID 46310157
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
2-[6-chloro-2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylethanamine
CID 46309426
1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]-N-methylmethanamine
CID 46310263
6-chloro-2-cyclohexyl-1-(furan-2-ylmethyl)benzimidazole
CID 46310221
1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997714

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(furan-2-ylmethyl)-2-[(2-methylphenoxy)methyl]benzimidazole?
The IUPAC name of 6-chloro-1-(furan-2-ylmethyl)-2-[(2-methylphenoxy)methyl]benzimidazole (CID 46310244) is 6-chloro-1-(furan-2-ylmethyl)-2-[(2-methylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 6-chloro-1-(furan-2-ylmethyl)-2-[(2-methylphenoxy)methyl]benzimidazole?
The canonical SMILES for 6-chloro-1-(furan-2-ylmethyl)-2-[(2-methylphenoxy)methyl]benzimidazole is Cc1ccccc1OCc1nc2ccc(Cl)cc2n1Cc1ccco1.
What is the InChIKey of 6-chloro-1-(furan-2-ylmethyl)-2-[(2-methylphenoxy)methyl]benzimidazole?
The InChIKey is MOXKLUJTIJQHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-14-5-2-3-7-19(14)25-13-20-22-17-9-8-15(21)11-18(17)23(20)12-16-6-4-10-24-16/h2-11H,12-13H2,1H3.
What are the key properties of 6-chloro-1-(furan-2-ylmethyl)-2-[(2-methylphenoxy)methyl]benzimidazole?
6-chloro-1-(furan-2-ylmethyl)-2-[(2-methylphenoxy)methyl]benzimidazole has a molecular weight of 352.82 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(furan-2-ylmethyl)-2-[(2-methylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 46310244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).