5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole

C14H18Cl2N2O — CID 113450562

IUPAC5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole
SMILESCC(C)OCCn1c(CCCl)nc2cc(Cl)ccc21
InChIInChI=1S/C14H18Cl2N2O/c1-10(2)19-8-7-18-13-4-3-11(16)9-12(13)17-14(18)5-6-15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyRCQGNQSNUZIAKF-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.90
Rot. Bonds6

About 5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole

5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole (PubChem CID 113450562) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole
PubChem CID113450562
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole
SMILESCC(C)OCCn1c(CCCl)nc2cc(Cl)ccc21
InChIInChI=1S/C14H18Cl2N2O/c1-10(2)19-8-7-18-13-4-3-11(16)9-12(13)17-14(18)5-6-15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyRCQGNQSNUZIAKF-UHFFFAOYSA-N
XLogP3.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-6,7-difluoro-1-(2-propan-2-yloxyethyl)benzimidazole
CID 104763416
3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 43666496
methyl 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanoate
CID 61292993
2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanamine
CID 63636171
5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-ylethyl)benzimidazole
CID 60902566
6-chloro-2-(2-chloroethyl)-1-(3-methylbutyl)benzimidazole
CID 113316238
5-chloro-2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]benzimidazole
CID 63302249
5-chloro-2-(2-chloroethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 62117938
3-[2-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 106420185
6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole
CID 113316360
5-chloro-2-(2-chloroethyl)-1-(3-methylbutan-2-yl)benzimidazole
CID 43666604
2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308773

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole?
The IUPAC name of 5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole (CID 113450562) is 5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole?
The canonical SMILES for 5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole is CC(C)OCCn1c(CCCl)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole?
The InChIKey is RCQGNQSNUZIAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-10(2)19-8-7-18-13-4-3-11(16)9-12(13)17-14(18)5-6-15/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole?
5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole has a molecular weight of 301.22 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole is sourced from PubChem (CID 113450562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).