2-(chloromethyl)-5-iodo-1-(4-methylpentyl)benzimidazole

C14H18ClIN2 — CID 66081071

IUPAC2-(chloromethyl)-5-iodo-1-(4-methylpentyl)benzimidazole
SMILESCC(C)CCCn1c(CCl)nc2cc(I)ccc21
InChIInChI=1S/C14H18ClIN2/c1-10(2)4-3-7-18-13-6-5-11(16)8-12(13)17-14(18)9-15/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyJKOJQTLVNGZZNC-UHFFFAOYSA-N
MW376.67 g/mol
LogP4.82
Rot. Bonds5

About 2-(chloromethyl)-5-iodo-1-(4-methylpentyl)benzimidazole

2-(chloromethyl)-5-iodo-1-(4-methylpentyl)benzimidazole (PubChem CID 66081071) has the molecular formula C14H18ClIN2 and a molecular weight of 376.67 g/mol. Its IUPAC name is 2-(chloromethyl)-5-iodo-1-(4-methylpentyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-iodo-1-(4-methylpentyl)benzimidazole
PubChem CID66081071
Molecular FormulaC14H18ClIN2
Molecular Weight376.67 g/mol
Exact Mass376.02
IUPAC Name2-(chloromethyl)-5-iodo-1-(4-methylpentyl)benzimidazole
SMILESCC(C)CCCn1c(CCl)nc2cc(I)ccc21
InChIInChI=1S/C14H18ClIN2/c1-10(2)4-3-7-18-13-6-5-11(16)8-12(13)17-14(18)9-15/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyJKOJQTLVNGZZNC-UHFFFAOYSA-N
XLogP4.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.67
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-5-iodo-1-(4-methylpentyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole
CID 115326558
2-(chloromethyl)-5-fluoro-1-(7-methyloctyl)benzimidazole
CID 107817097
2-(chloromethyl)-5-iodo-1-(3-propoxypropyl)benzimidazole
CID 82943666
2-(chloromethyl)-5-iodo-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole
CID 102906948
2-(2-chloroethyl)-5-iodo-1-(6-methylheptan-2-yl)benzimidazole
CID 66082234
2-(chloromethyl)-1-(2-cyclopropylpropyl)-5-iodobenzimidazole
CID 113475683
2-(chloromethyl)-5-iodo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 80686278
2-[5-iodo-1-(4-methylpentyl)benzimidazol-2-yl]sulfanylacetic acid
CID 66079792
2-(chloromethyl)-5-iodo-1-[(4-methylphenyl)methyl]benzimidazole
CID 66079632
6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole
CID 113316360
2-(chloromethyl)-1-(2-cyclobutylethyl)-5-iodobenzimidazole
CID 113479138
2-(chloromethyl)-5-iodo-1-[(2-methylpyrazol-3-yl)methyl]benzimidazole
CID 66081463

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-iodo-1-(4-methylpentyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-5-iodo-1-(4-methylpentyl)benzimidazole (CID 66081071) is 2-(chloromethyl)-5-iodo-1-(4-methylpentyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-iodo-1-(4-methylpentyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-iodo-1-(4-methylpentyl)benzimidazole is CC(C)CCCn1c(CCl)nc2cc(I)ccc21.
What is the InChIKey of 2-(chloromethyl)-5-iodo-1-(4-methylpentyl)benzimidazole?
The InChIKey is JKOJQTLVNGZZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClIN2/c1-10(2)4-3-7-18-13-6-5-11(16)8-12(13)17-14(18)9-15/h5-6,8,10H,3-4,7,9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-iodo-1-(4-methylpentyl)benzimidazole?
2-(chloromethyl)-5-iodo-1-(4-methylpentyl)benzimidazole has a molecular weight of 376.67 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-iodo-1-(4-methylpentyl)benzimidazole is sourced from PubChem (CID 66081071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).