2-(chloromethyl)-4-methoxy-6-methyl-1H-benzimidazole

C10H11ClN2O — CID 130053126

IUPAC2-(chloromethyl)-4-methoxy-6-methyl-1H-benzimidazole
SMILESCOc1cc(C)cc2[nH]c(CCl)nc12
InChIInChI=1S/C10H11ClN2O/c1-6-3-7-10(8(4-6)14-2)13-9(5-11)12-7/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyZYYQRRQKGQOIDE-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.62
Rot. Bonds2

About 2-(chloromethyl)-4-methoxy-6-methyl-1H-benzimidazole

2-(chloromethyl)-4-methoxy-6-methyl-1H-benzimidazole (PubChem CID 130053126) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-(chloromethyl)-4-methoxy-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-4-methoxy-6-methyl-1H-benzimidazole
PubChem CID130053126
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name2-(chloromethyl)-4-methoxy-6-methyl-1H-benzimidazole
SMILESCOc1cc(C)cc2[nH]c(CCl)nc12
InChIInChI=1S/C10H11ClN2O/c1-6-3-7-10(8(4-6)14-2)13-9(5-11)12-7/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyZYYQRRQKGQOIDE-UHFFFAOYSA-N
XLogP2.62
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole
CID 82007491
2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride
CID 75481538
2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole
CID 82946869
6-chloro-4-methoxy-2-methyl-1H-benzimidazole
CID 118993823
2-(3-methoxypropyl)-4,6-dimethyl-1H-benzimidazole
CID 82946781
2-(chloromethyl)-4-methyl-1H-benzimidazole
CID 12953834
3-chloro-8-methoxy-2,6-dimethylquinoline
CID 164910532
4,6-dibromo-2-(chloromethyl)-1H-benzimidazole
CID 11174733
8-methoxy-2,3,6-trimethylquinoline
CID 164911251
5-chloro-2-(chloromethyl)-4-fluoro-1H-benzimidazole
CID 130658186
7-methoxy-2-(3-methylbutyl)-3H-benzimidazole-5-carbaldehyde
CID 118864224
7-bromo-5-methoxy-3-methyl-1H-quinoxalin-2-one
CID 71295705

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-methoxy-6-methyl-1H-benzimidazole?
The IUPAC name of 2-(chloromethyl)-4-methoxy-6-methyl-1H-benzimidazole (CID 130053126) is 2-(chloromethyl)-4-methoxy-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-4-methoxy-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-(chloromethyl)-4-methoxy-6-methyl-1H-benzimidazole is COc1cc(C)cc2[nH]c(CCl)nc12.
What is the InChIKey of 2-(chloromethyl)-4-methoxy-6-methyl-1H-benzimidazole?
The InChIKey is ZYYQRRQKGQOIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-6-3-7-10(8(4-6)14-2)13-9(5-11)12-7/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(chloromethyl)-4-methoxy-6-methyl-1H-benzimidazole?
2-(chloromethyl)-4-methoxy-6-methyl-1H-benzimidazole has a molecular weight of 210.66 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-methoxy-6-methyl-1H-benzimidazole is sourced from PubChem (CID 130053126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).