2-(chloromethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole

C17H25ClN2 — CID 102906911

IUPAC2-(chloromethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole
SMILESCc1ccc2nc(CCl)n(CC(C(C)C)C(C)C)c2c1
InChIInChI=1S/C17H25ClN2/c1-11(2)14(12(3)4)10-20-16-8-13(5)6-7-15(16)19-17(20)9-18/h6-8,11-12,14H,9-10H2,1-5H3
InChIKeyBGVFBRWERQKQQP-UHFFFAOYSA-N
MW292.85 g/mol
LogP5.01
Rot. Bonds5

About 2-(chloromethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole

2-(chloromethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole (PubChem CID 102906911) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole
PubChem CID102906911
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name2-(chloromethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole
SMILESCc1ccc2nc(CCl)n(CC(C(C)C)C(C)C)c2c1
InChIInChI=1S/C17H25ClN2/c1-11(2)14(12(3)4)10-20-16-8-13(5)6-7-15(16)19-17(20)9-18/h6-8,11-12,14H,9-10H2,1-5H3
InChIKeyBGVFBRWERQKQQP-UHFFFAOYSA-N
XLogP5.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.85
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole
CID 102906987
2-(chloromethyl)-5-iodo-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole
CID 102906948
[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 165416489
6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 115470827
2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole
CID 106900389
2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole
CID 64596575
6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 65345262
5-bromo-2-(chloromethyl)-1-(2,3-dimethylbutyl)benzimidazole
CID 64597396
2-(chloromethyl)-6-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole
CID 106105821
4-[2-[2-(chloromethyl)-6-methylbenzimidazol-1-yl]ethyl]thiomorpholine
CID 106326534
2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole
CID 61167651
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole (CID 102906911) is 2-(chloromethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole is Cc1ccc2nc(CCl)n(CC(C(C)C)C(C)C)c2c1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole?
The InChIKey is BGVFBRWERQKQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-11(2)14(12(3)4)10-20-16-8-13(5)6-7-15(16)19-17(20)9-18/h6-8,11-12,14H,9-10H2,1-5H3.
What are the key properties of 2-(chloromethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole?
2-(chloromethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole has a molecular weight of 292.85 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole is sourced from PubChem (CID 102906911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).