2-(chloromethyl)-7-methyl-1-(2-methylpentan-3-yl)benzimidazole

C15H21ClN2 — CID 113334040

IUPAC2-(chloromethyl)-7-methyl-1-(2-methylpentan-3-yl)benzimidazole
SMILESCCC(C(C)C)n1c(CCl)nc2cccc(C)c21
InChIInChI=1S/C15H21ClN2/c1-5-13(10(2)3)18-14(9-16)17-12-8-6-7-11(4)15(12)18/h6-8,10,13H,5,9H2,1-4H3
InChIKeyBYZKIZCDMCZPJM-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.69
Rot. Bonds4

About 2-(chloromethyl)-7-methyl-1-(2-methylpentan-3-yl)benzimidazole

2-(chloromethyl)-7-methyl-1-(2-methylpentan-3-yl)benzimidazole (PubChem CID 113334040) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 2-(chloromethyl)-7-methyl-1-(2-methylpentan-3-yl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-7-methyl-1-(2-methylpentan-3-yl)benzimidazole
PubChem CID113334040
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name2-(chloromethyl)-7-methyl-1-(2-methylpentan-3-yl)benzimidazole
SMILESCCC(C(C)C)n1c(CCl)nc2cccc(C)c21
InChIInChI=1S/C15H21ClN2/c1-5-13(10(2)3)18-14(9-16)17-12-8-6-7-11(4)15(12)18/h6-8,10,13H,5,9H2,1-4H3
InChIKeyBYZKIZCDMCZPJM-UHFFFAOYSA-N
XLogP4.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.69
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)-7-methyl-1-propan-2-ylbenzimidazole
CID 115552648
2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole
CID 55031992
2-(chloromethyl)-7-methyl-1-(1-pyridin-4-ylethyl)benzimidazole
CID 115553000
2-[7-methyl-1-(2-methylpentan-3-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 115552100
7-chloro-2-(chloromethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 63545399
2-(2-chloroethyl)-7-methyl-1-(4-methylhexan-2-yl)benzimidazole
CID 115553640
2-(chloromethyl)-7-methyl-1-(2-propan-2-yloxyethyl)benzimidazole
CID 104763412
2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-methylbenzimidazole
CID 106900384
2-(2-chloroethyl)-1-hexan-2-yl-7-methylbenzimidazole
CID 115553382
2-(2-chloroethyl)-7-methyl-1-propylbenzimidazole
CID 115552731
2-(2-chloroethyl)-1-(1-methoxypropan-2-yl)-7-methylbenzimidazole
CID 115552669
2-(chloromethyl)-1-(4-ethoxyphenyl)-7-methylbenzimidazole
CID 115552801

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-7-methyl-1-(2-methylpentan-3-yl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-7-methyl-1-(2-methylpentan-3-yl)benzimidazole (CID 113334040) is 2-(chloromethyl)-7-methyl-1-(2-methylpentan-3-yl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-7-methyl-1-(2-methylpentan-3-yl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-7-methyl-1-(2-methylpentan-3-yl)benzimidazole is CCC(C(C)C)n1c(CCl)nc2cccc(C)c21.
What is the InChIKey of 2-(chloromethyl)-7-methyl-1-(2-methylpentan-3-yl)benzimidazole?
The InChIKey is BYZKIZCDMCZPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-5-13(10(2)3)18-14(9-16)17-12-8-6-7-11(4)15(12)18/h6-8,10,13H,5,9H2,1-4H3.
What are the key properties of 2-(chloromethyl)-7-methyl-1-(2-methylpentan-3-yl)benzimidazole?
2-(chloromethyl)-7-methyl-1-(2-methylpentan-3-yl)benzimidazole has a molecular weight of 264.80 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-7-methyl-1-(2-methylpentan-3-yl)benzimidazole is sourced from PubChem (CID 113334040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).