1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-chloroethyl)benzimidazole

C18H23ClN2 — CID 43666180

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-chloroethyl)benzimidazole
SMILESCC(C1CC2CCC1C2)n1c(CCCl)nc2ccccc21
InChIInChI=1S/C18H23ClN2/c1-12(15-11-13-6-7-14(15)10-13)21-17-5-3-2-4-16(17)20-18(21)8-9-19/h2-5,12-15H,6-11H2,1H3
InChIKeyCLYYULHXXXKZGL-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.81
Rot. Bonds4

About 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-chloroethyl)benzimidazole

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-chloroethyl)benzimidazole (PubChem CID 43666180) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-chloroethyl)benzimidazole.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-chloroethyl)benzimidazole
PubChem CID43666180
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-chloroethyl)benzimidazole
SMILESCC(C1CC2CCC1C2)n1c(CCCl)nc2ccccc21
InChIInChI=1S/C18H23ClN2/c1-12(15-11-13-6-7-14(15)10-13)21-17-5-3-2-4-16(17)20-18(21)8-9-19/h2-5,12-15H,6-11H2,1H3
InChIKeyCLYYULHXXXKZGL-UHFFFAOYSA-N
XLogP4.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.81
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-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole
CID 43667620
[5-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazol-2-yl]methanol
CID 62596554
2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
CID 43666303
2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole
CID 43533654
2-(2-chloroethyl)-1-(3-ethylpentan-2-yl)benzimidazole
CID 63838567
2-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole
CID 55222184
2-(2-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
CID 43667584
2-(2-chloroethyl)-1-(4-methylsulfanylbutan-2-yl)benzimidazole
CID 113477871
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole
CID 98294882
2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole
CID 62409588
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 3975167
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115553577

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-chloroethyl)benzimidazole?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-chloroethyl)benzimidazole (CID 43666180) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-chloroethyl)benzimidazole.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-chloroethyl)benzimidazole?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-chloroethyl)benzimidazole is CC(C1CC2CCC1C2)n1c(CCCl)nc2ccccc21.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-chloroethyl)benzimidazole?
The InChIKey is CLYYULHXXXKZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-12(15-11-13-6-7-14(15)10-13)21-17-5-3-2-4-16(17)20-18(21)8-9-19/h2-5,12-15H,6-11H2,1H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-chloroethyl)benzimidazole?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-chloroethyl)benzimidazole has a molecular weight of 302.85 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-chloroethyl)benzimidazole is sourced from PubChem (CID 43666180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).