2-(2-chloroethyl)-1-(4-ethylphenyl)-5-methylbenzimidazole

C18H19ClN2 — CID 43666954

IUPAC2-(2-chloroethyl)-1-(4-ethylphenyl)-5-methylbenzimidazole
SMILESCCc1ccc(-n2c(CCCl)nc3cc(C)ccc32)cc1
InChIInChI=1S/C18H19ClN2/c1-3-14-5-7-15(8-6-14)21-17-9-4-13(2)12-16(17)20-18(21)10-11-19/h4-9,12H,3,10-11H2,1-2H3
InChIKeyDRPQRVCINWHBFI-UHFFFAOYSA-N
MW298.82 g/mol
LogP4.68
Rot. Bonds4

About 2-(2-chloroethyl)-1-(4-ethylphenyl)-5-methylbenzimidazole

2-(2-chloroethyl)-1-(4-ethylphenyl)-5-methylbenzimidazole (PubChem CID 43666954) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(4-ethylphenyl)-5-methylbenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(4-ethylphenyl)-5-methylbenzimidazole
PubChem CID43666954
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name2-(2-chloroethyl)-1-(4-ethylphenyl)-5-methylbenzimidazole
SMILESCCc1ccc(-n2c(CCCl)nc3cc(C)ccc32)cc1
InChIInChI=1S/C18H19ClN2/c1-3-14-5-7-15(8-6-14)21-17-9-4-13(2)12-16(17)20-18(21)10-11-19/h4-9,12H,3,10-11H2,1-2H3
InChIKeyDRPQRVCINWHBFI-UHFFFAOYSA-N
XLogP4.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 54.68
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-(2-chloroethyl)-1-(4-ethylphenyl)benzimidazole
CID 43666944
1-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43667361
1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43666700
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole
CID 107637799
2-(chloromethyl)-1-(4-methoxyphenyl)-5-methylbenzimidazole
CID 43660372
2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
CID 43666424
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(4-methylphenyl)benzimidazole
CID 66088874
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-methylphenyl)benzimidazole
CID 66095889
2-(2-chloroethyl)-5-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazole
CID 79044549
2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole
CID 43666918
2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole
CID 43667403
2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole
CID 43666862

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(4-ethylphenyl)-5-methylbenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(4-ethylphenyl)-5-methylbenzimidazole (CID 43666954) is 2-(2-chloroethyl)-1-(4-ethylphenyl)-5-methylbenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(4-ethylphenyl)-5-methylbenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(4-ethylphenyl)-5-methylbenzimidazole is CCc1ccc(-n2c(CCCl)nc3cc(C)ccc32)cc1.
What is the InChIKey of 2-(2-chloroethyl)-1-(4-ethylphenyl)-5-methylbenzimidazole?
The InChIKey is DRPQRVCINWHBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-3-14-5-7-15(8-6-14)21-17-9-4-13(2)12-16(17)20-18(21)10-11-19/h4-9,12H,3,10-11H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-1-(4-ethylphenyl)-5-methylbenzimidazole?
2-(2-chloroethyl)-1-(4-ethylphenyl)-5-methylbenzimidazole has a molecular weight of 298.82 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(4-ethylphenyl)-5-methylbenzimidazole is sourced from PubChem (CID 43666954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).