2-(chloromethyl)-7-methyl-1-[(5-methylthiophen-2-yl)methyl]benzimidazole

C15H15ClN2S — CID 113334051

IUPAC2-(chloromethyl)-7-methyl-1-[(5-methylthiophen-2-yl)methyl]benzimidazole
SMILESCc1ccc(Cn2c(CCl)nc3cccc(C)c32)s1
InChIInChI=1S/C15H15ClN2S/c1-10-4-3-5-13-15(10)18(14(8-16)17-13)9-12-7-6-11(2)19-12/h3-7H,8-9H2,1-2H3
InChIKeyXPVRYVTYGKZOSS-UHFFFAOYSA-N
MW290.82 g/mol
LogP4.50
Rot. Bonds3

About 2-(chloromethyl)-7-methyl-1-[(5-methylthiophen-2-yl)methyl]benzimidazole

2-(chloromethyl)-7-methyl-1-[(5-methylthiophen-2-yl)methyl]benzimidazole (PubChem CID 113334051) has the molecular formula C15H15ClN2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 2-(chloromethyl)-7-methyl-1-[(5-methylthiophen-2-yl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-7-methyl-1-[(5-methylthiophen-2-yl)methyl]benzimidazole
PubChem CID113334051
Molecular FormulaC15H15ClN2S
Molecular Weight290.82 g/mol
Exact Mass290.06
IUPAC Name2-(chloromethyl)-7-methyl-1-[(5-methylthiophen-2-yl)methyl]benzimidazole
SMILESCc1ccc(Cn2c(CCl)nc3cccc(C)c32)s1
InChIInChI=1S/C15H15ClN2S/c1-10-4-3-5-13-15(10)18(14(8-16)17-13)9-12-7-6-11(2)19-12/h3-7H,8-9H2,1-2H3
InChIKeyXPVRYVTYGKZOSS-UHFFFAOYSA-N
XLogP4.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 54.50
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

2-(chloromethyl)-3-[(5-methylthiophen-2-yl)methyl]quinazolin-4-one
CID 62058122
4-[[2-(chloromethyl)-7-methylbenzimidazol-1-yl]methyl]-1,3-thiazole
CID 115553507
2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-methylbenzimidazole
CID 106900384
4-chloro-2-(chloromethyl)-1-[(5-methylthiophen-2-yl)methyl]benzimidazole
CID 113459146
4-[[2-(chloromethyl)-7-methylbenzimidazol-1-yl]methyl]benzonitrile
CID 115553385
2-(chloromethyl)-7-methyl-1-(2-thiophen-2-ylethyl)benzimidazole
CID 115552755
2-(chloromethyl)-7-methyl-1-(2-propan-2-yloxyethyl)benzimidazole
CID 104763412
2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole
CID 115552971
2-(chloromethyl)-1-(cyclopentylmethyl)-7-methylbenzimidazole
CID 115552982
2-(chloromethyl)-1-(1,4-dioxan-2-ylmethyl)-7-methylbenzimidazole
CID 115553084
2-(chloromethyl)-7-methyl-1-[2-(oxan-2-yl)ethyl]benzimidazole
CID 106004974
1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115552681

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-7-methyl-1-[(5-methylthiophen-2-yl)methyl]benzimidazole?
The IUPAC name of 2-(chloromethyl)-7-methyl-1-[(5-methylthiophen-2-yl)methyl]benzimidazole (CID 113334051) is 2-(chloromethyl)-7-methyl-1-[(5-methylthiophen-2-yl)methyl]benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-7-methyl-1-[(5-methylthiophen-2-yl)methyl]benzimidazole?
The canonical SMILES for 2-(chloromethyl)-7-methyl-1-[(5-methylthiophen-2-yl)methyl]benzimidazole is Cc1ccc(Cn2c(CCl)nc3cccc(C)c32)s1.
What is the InChIKey of 2-(chloromethyl)-7-methyl-1-[(5-methylthiophen-2-yl)methyl]benzimidazole?
The InChIKey is XPVRYVTYGKZOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2S/c1-10-4-3-5-13-15(10)18(14(8-16)17-13)9-12-7-6-11(2)19-12/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-7-methyl-1-[(5-methylthiophen-2-yl)methyl]benzimidazole?
2-(chloromethyl)-7-methyl-1-[(5-methylthiophen-2-yl)methyl]benzimidazole has a molecular weight of 290.82 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-7-methyl-1-[(5-methylthiophen-2-yl)methyl]benzimidazole is sourced from PubChem (CID 113334051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).