1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-2-(chloromethyl)benzimidazole

C16H18Cl2N2 — CID 104838143

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-2-(chloromethyl)benzimidazole
SMILESClCc1nc2c(Cl)cccc2n1CC1CC2CCC1C2
InChIInChI=1S/C16H18Cl2N2/c17-8-15-19-16-13(18)2-1-3-14(16)20(15)9-12-7-10-4-5-11(12)6-10/h1-3,10-12H,4-9H2
InChIKeyNZZMGKKJWUJPLY-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.86
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-2-(chloromethyl)benzimidazole

1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-2-(chloromethyl)benzimidazole (PubChem CID 104838143) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-2-(chloromethyl)benzimidazole.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-2-(chloromethyl)benzimidazole
PubChem CID104838143
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-2-(chloromethyl)benzimidazole
SMILESClCc1nc2c(Cl)cccc2n1CC1CC2CCC1C2
InChIInChI=1S/C16H18Cl2N2/c17-8-15-19-16-13(18)2-1-3-14(16)20(15)9-12-7-10-4-5-11(12)6-10/h1-3,10-12H,4-9H2
InChIKeyNZZMGKKJWUJPLY-UHFFFAOYSA-N
XLogP4.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.86
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

4-chloro-2-(chloromethyl)-1-[(2-methyloxolan-3-yl)methyl]benzimidazole
CID 114106637
3-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276099
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbenzimidazole
CID 116622454
4-chloro-2-(chloromethyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 104838062
4-chloro-2-(2-chloroethyl)-1-(cyclohexylmethyl)benzimidazole
CID 104837648
1-butyl-4-chloro-2-(chloromethyl)benzimidazole
CID 104837320
4-chloro-2-(2-chloroethyl)-1-[(3-methylcyclopentyl)methyl]benzimidazole
CID 107414431
2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide
CID 104837307
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79273203
4-chloro-2-(chloromethyl)-1-(2-pyridin-4-ylethyl)benzimidazole
CID 104837726
4-chloro-2-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]benzimidazole
CID 104838039
2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 104838625

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-2-(chloromethyl)benzimidazole?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-2-(chloromethyl)benzimidazole (CID 104838143) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-2-(chloromethyl)benzimidazole.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-2-(chloromethyl)benzimidazole?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-2-(chloromethyl)benzimidazole is ClCc1nc2c(Cl)cccc2n1CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-2-(chloromethyl)benzimidazole?
The InChIKey is NZZMGKKJWUJPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c17-8-15-19-16-13(18)2-1-3-14(16)20(15)9-12-7-10-4-5-11(12)6-10/h1-3,10-12H,4-9H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-2-(chloromethyl)benzimidazole?
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-2-(chloromethyl)benzimidazole has a molecular weight of 309.24 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-2-(chloromethyl)benzimidazole is sourced from PubChem (CID 104838143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).