2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole

C14H19ClN2 — CID 61167651

IUPAC2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCl)n2CC(C)(C)C
InChIInChI=1S/C14H19ClN2/c1-10-5-6-12-11(7-10)16-13(8-15)17(12)9-14(2,3)4/h5-7H,8-9H2,1-4H3
InChIKeyNVSWHDBEPQBBLT-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.13
Rot. Bonds2

About 2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole

2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole (PubChem CID 61167651) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole
PubChem CID61167651
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCl)n2CC(C)(C)C
InChIInChI=1S/C14H19ClN2/c1-10-5-6-12-11(7-10)16-13(8-15)17(12)9-14(2,3)4/h5-7H,8-9H2,1-4H3
InChIKeyNVSWHDBEPQBBLT-UHFFFAOYSA-N
XLogP4.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.13
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-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
2-(chloromethyl)-5-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazole
CID 80522769
2-(chloromethyl)-5-methyl-1-(2-methylsulfanylethyl)benzimidazole
CID 63960619
2-(chloromethyl)-5-methyl-1-pentylbenzimidazole
CID 43660022
2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole
CID 43660301
2-(chloromethyl)-3-(2,2-dimethylpropyl)-6-methylimidazo[4,5-b]pyridine
CID 79301222
2-(chloromethyl)-5-methyl-1-(3-methylpentan-3-yl)benzimidazole
CID 114174450
4-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]butan-2-one
CID 82333305
2-(chloromethyl)-5-methyl-1-[(2-methylphenyl)methyl]benzimidazole
CID 60902601
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine
CID 43660321
2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 62640925
2-(chloromethyl)-5-methyl-1-[2-(2-methylphenyl)ethyl]benzimidazole
CID 79757744

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole (CID 61167651) is 2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole is Cc1ccc2c(c1)nc(CCl)n2CC(C)(C)C.
What is the InChIKey of 2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole?
The InChIKey is NVSWHDBEPQBBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-10-5-6-12-11(7-10)16-13(8-15)17(12)9-14(2,3)4/h5-7H,8-9H2,1-4H3.
What are the key properties of 2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole?
2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole has a molecular weight of 250.77 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole is sourced from PubChem (CID 61167651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).