6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole

C14H12Cl2N2O — CID 115471451

IUPAC6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole
SMILESCc1ccc(Cn2c(CCl)nc3ccc(Cl)cc32)o1
InChIInChI=1S/C14H12Cl2N2O/c1-9-2-4-11(19-9)8-18-13-6-10(16)3-5-12(13)17-14(18)7-15/h2-6H,7-8H2,1H3
InChIKeyVWZPPAPFPTUQRV-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.38
Rot. Bonds3

About 6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole

6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole (PubChem CID 115471451) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole
PubChem CID115471451
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole
SMILESCc1ccc(Cn2c(CCl)nc3ccc(Cl)cc32)o1
InChIInChI=1S/C14H12Cl2N2O/c1-9-2-4-11(19-9)8-18-13-6-10(16)3-5-12(13)17-14(18)7-15/h2-6H,7-8H2,1H3
InChIKeyVWZPPAPFPTUQRV-UHFFFAOYSA-N
XLogP4.38
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 62522862
6-bromo-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 65346287
2-(chloromethyl)-6-fluoro-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 62523736
2-(chloromethyl)-5-fluoro-6-methoxy-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 63599148
2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine
CID 79292889
6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 115471149
6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 115470827
6-chloro-2-(chloromethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole
CID 114701318
[6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol
CID 46310204
6-chloro-1-(furan-2-ylmethyl)-2-[(2-methylphenoxy)methyl]benzimidazole
CID 46310244
2-[[6-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,3-thiazole
CID 115471283
2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole-4-carbonitrile
CID 104719634

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole?
The IUPAC name of 6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole (CID 115471451) is 6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole?
The canonical SMILES for 6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole is Cc1ccc(Cn2c(CCl)nc3ccc(Cl)cc32)o1.
What is the InChIKey of 6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole?
The InChIKey is VWZPPAPFPTUQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-9-2-4-11(19-9)8-18-13-6-10(16)3-5-12(13)17-14(18)7-15/h2-6H,7-8H2,1H3.
What are the key properties of 6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole?
6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole has a molecular weight of 295.17 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole is sourced from PubChem (CID 115471451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).