2-(2-chloroethyl)-1-(3-ethylphenyl)-7-methylbenzimidazole

C18H19ClN2 — CID 115552870

IUPAC2-(2-chloroethyl)-1-(3-ethylphenyl)-7-methylbenzimidazole
SMILESCCc1cccc(-n2c(CCCl)nc3cccc(C)c32)c1
InChIInChI=1S/C18H19ClN2/c1-3-14-7-5-8-15(12-14)21-17(10-11-19)20-16-9-4-6-13(2)18(16)21/h4-9,12H,3,10-11H2,1-2H3
InChIKeySSEAMDSBDVIBNM-UHFFFAOYSA-N
MW298.82 g/mol
LogP4.68
Rot. Bonds4

About 2-(2-chloroethyl)-1-(3-ethylphenyl)-7-methylbenzimidazole

2-(2-chloroethyl)-1-(3-ethylphenyl)-7-methylbenzimidazole (PubChem CID 115552870) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(3-ethylphenyl)-7-methylbenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(3-ethylphenyl)-7-methylbenzimidazole
PubChem CID115552870
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name2-(2-chloroethyl)-1-(3-ethylphenyl)-7-methylbenzimidazole
SMILESCCc1cccc(-n2c(CCCl)nc3cccc(C)c32)c1
InChIInChI=1S/C18H19ClN2/c1-3-14-7-5-8-15(12-14)21-17(10-11-19)20-16-9-4-6-13(2)18(16)21/h4-9,12H,3,10-11H2,1-2H3
InChIKeySSEAMDSBDVIBNM-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

1-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115553491
1-(3-bromo-4-fluorophenyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 104780083
6-bromo-2-(2-chloroethyl)-3-(3-ethylphenyl)imidazo[4,5-b]pyridine
CID 79280597
2-(2-chloroethyl)-1-(2,3-dichlorophenyl)-7-methylbenzimidazole
CID 115552896
2-(2-chloroethyl)-1-(2,6-dibromophenyl)-7-methylbenzimidazole
CID 107601522
1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115552681
2-(2-chloroethyl)-1-(2,4-dichlorophenyl)-7-methylbenzimidazole
CID 115552924
2-(2-chloroethyl)-7-methyl-1-propylbenzimidazole
CID 115552731
7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
CID 43667107
2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-7-methylbenzimidazole
CID 115553408
7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole
CID 43666832
1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115553755

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(3-ethylphenyl)-7-methylbenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(3-ethylphenyl)-7-methylbenzimidazole (CID 115552870) is 2-(2-chloroethyl)-1-(3-ethylphenyl)-7-methylbenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(3-ethylphenyl)-7-methylbenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(3-ethylphenyl)-7-methylbenzimidazole is CCc1cccc(-n2c(CCCl)nc3cccc(C)c32)c1.
What is the InChIKey of 2-(2-chloroethyl)-1-(3-ethylphenyl)-7-methylbenzimidazole?
The InChIKey is SSEAMDSBDVIBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-3-14-7-5-8-15(12-14)21-17(10-11-19)20-16-9-4-6-13(2)18(16)21/h4-9,12H,3,10-11H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-1-(3-ethylphenyl)-7-methylbenzimidazole?
2-(2-chloroethyl)-1-(3-ethylphenyl)-7-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-(3-ethylphenyl)-7-methylbenzimidazole is sourced from PubChem (CID 115552870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).