2-(chloromethyl)-5-methyl-1-(3-methylpentan-3-yl)benzimidazole

C15H21ClN2 — CID 114174450

IUPAC2-(chloromethyl)-5-methyl-1-(3-methylpentan-3-yl)benzimidazole
SMILESCCC(C)(CC)n1c(CCl)nc2cc(C)ccc21
InChIInChI=1S/C15H21ClN2/c1-5-15(4,6-2)18-13-8-7-11(3)9-12(13)17-14(18)10-16/h7-9H,5-6,10H2,1-4H3
InChIKeyFDSPLXLFOJLAMK-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.62
Rot. Bonds4

About 2-(chloromethyl)-5-methyl-1-(3-methylpentan-3-yl)benzimidazole

2-(chloromethyl)-5-methyl-1-(3-methylpentan-3-yl)benzimidazole (PubChem CID 114174450) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-1-(3-methylpentan-3-yl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-1-(3-methylpentan-3-yl)benzimidazole
PubChem CID114174450
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name2-(chloromethyl)-5-methyl-1-(3-methylpentan-3-yl)benzimidazole
SMILESCCC(C)(CC)n1c(CCl)nc2cc(C)ccc21
InChIInChI=1S/C15H21ClN2/c1-5-15(4,6-2)18-13-8-7-11(3)9-12(13)17-14(18)10-16/h7-9H,5-6,10H2,1-4H3
InChIKeyFDSPLXLFOJLAMK-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
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

5-chloro-2-(chloromethyl)-1-(3-methylpentan-3-yl)benzimidazole
CID 114174442
2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole
CID 61167651
6-chloro-2-(chloromethyl)-5-fluoro-1-(3-methylpentan-3-yl)benzimidazole
CID 106330381
5-bromo-2-(chloromethyl)-6-fluoro-1-(3-methylpentan-3-yl)benzimidazole
CID 106330234
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
2-(chloromethyl)-5-methyl-1-pentylbenzimidazole
CID 43660022
2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine
CID 106330443
2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
CID 43666424
2-(chloromethyl)-1-cyclobutyl-5-methylbenzimidazole
CID 62413831
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine
CID 43660321
2-(chloromethyl)-5-methyl-1-(2-methylsulfanylethyl)benzimidazole
CID 63960619
1-(2-bromo-4-methylphenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 43660921

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methyl-1-(3-methylpentan-3-yl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-5-methyl-1-(3-methylpentan-3-yl)benzimidazole (CID 114174450) is 2-(chloromethyl)-5-methyl-1-(3-methylpentan-3-yl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-1-(3-methylpentan-3-yl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-methyl-1-(3-methylpentan-3-yl)benzimidazole is CCC(C)(CC)n1c(CCl)nc2cc(C)ccc21.
What is the InChIKey of 2-(chloromethyl)-5-methyl-1-(3-methylpentan-3-yl)benzimidazole?
The InChIKey is FDSPLXLFOJLAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-5-15(4,6-2)18-13-8-7-11(3)9-12(13)17-14(18)10-16/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 2-(chloromethyl)-5-methyl-1-(3-methylpentan-3-yl)benzimidazole?
2-(chloromethyl)-5-methyl-1-(3-methylpentan-3-yl)benzimidazole has a molecular weight of 264.80 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-1-(3-methylpentan-3-yl)benzimidazole is sourced from PubChem (CID 114174450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).