2-(chloromethyl)-6-(4-methylpentyl)-1H-benzimidazole

C14H19ClN2 — CID 91291350

IUPAC2-(chloromethyl)-6-(4-methylpentyl)-1H-benzimidazole
SMILESCC(C)CCCc1ccc2nc(CCl)[nH]c2c1
InChIInChI=1S/C14H19ClN2/c1-10(2)4-3-5-11-6-7-12-13(8-11)17-14(9-15)16-12/h6-8,10H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyXALVEFBHBXTBOG-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.28
Rot. Bonds5

About 2-(chloromethyl)-6-(4-methylpentyl)-1H-benzimidazole

2-(chloromethyl)-6-(4-methylpentyl)-1H-benzimidazole (PubChem CID 91291350) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(4-methylpentyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-6-(4-methylpentyl)-1H-benzimidazole
PubChem CID91291350
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name2-(chloromethyl)-6-(4-methylpentyl)-1H-benzimidazole
SMILESCC(C)CCCc1ccc2nc(CCl)[nH]c2c1
InChIInChI=1S/C14H19ClN2/c1-10(2)4-3-5-11-6-7-12-13(8-11)17-14(9-15)16-12/h6-8,10H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyXALVEFBHBXTBOG-UHFFFAOYSA-N
XLogP4.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-6-ethyl-1H-benzimidazole
CID 14096341
methyl 3-[2-(chloromethyl)-3H-benzimidazol-5-yl]propanoate
CID 122513917
N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337145
N-methyl-1-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]methanamine
CID 84683142
6-ethyl-2-(2-methylbutyl)-1H-benzimidazole
CID 114875306
N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine
CID 96673204
N-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine
CID 98783912
6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride
CID 154729465
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337147
5-(4-methylpentyl)-1H-indole
CID 143660626
2-(3-methylbutyl)-6-methylsulfonyl-1H-benzimidazole
CID 62068084
(2-butyl-3H-benzimidazol-5-yl)methanamine
CID 79004472

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(4-methylpentyl)-1H-benzimidazole?
The IUPAC name of 2-(chloromethyl)-6-(4-methylpentyl)-1H-benzimidazole (CID 91291350) is 2-(chloromethyl)-6-(4-methylpentyl)-1H-benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-6-(4-methylpentyl)-1H-benzimidazole?
The canonical SMILES for 2-(chloromethyl)-6-(4-methylpentyl)-1H-benzimidazole is CC(C)CCCc1ccc2nc(CCl)[nH]c2c1.
What is the InChIKey of 2-(chloromethyl)-6-(4-methylpentyl)-1H-benzimidazole?
The InChIKey is XALVEFBHBXTBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-10(2)4-3-5-11-6-7-12-13(8-11)17-14(9-15)16-12/h6-8,10H,3-5,9H2,1-2H3,(H,16,17).
What are the key properties of 2-(chloromethyl)-6-(4-methylpentyl)-1H-benzimidazole?
2-(chloromethyl)-6-(4-methylpentyl)-1H-benzimidazole has a molecular weight of 250.77 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(4-methylpentyl)-1H-benzimidazole is sourced from PubChem (CID 91291350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).