2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole

C17H17ClN2 — CID 60785471

IUPAC2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole
SMILESCCn1c(-c2ccc(CCl)cc2)nc2cc(C)ccc21
InChIInChI=1S/C17H17ClN2/c1-3-20-16-9-4-12(2)10-15(16)19-17(20)14-7-5-13(11-18)6-8-14/h4-10H,3,11H2,1-2H3
InChIKeyHQGNXIZXUZNIPG-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.77
Rot. Bonds3

About 2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole

2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole (PubChem CID 60785471) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole.

Molecular Properties

Compound Name2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole
PubChem CID60785471
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole
SMILESCCn1c(-c2ccc(CCl)cc2)nc2cc(C)ccc21
InChIInChI=1S/C17H17ClN2/c1-3-20-16-9-4-12(2)10-15(16)19-17(20)14-7-5-13(11-18)6-8-14/h4-10H,3,11H2,1-2H3
InChIKeyHQGNXIZXUZNIPG-UHFFFAOYSA-N
XLogP4.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.77
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-chloro-5-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
CID 60784511
1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
CID 12620886
[4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine
CID 82333100
2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
CID 43666424
2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine
CID 83813225
5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451
2-bromo-1-ethyl-5-methylbenzimidazole
CID 84799459
[4-(5-methyl-1-prop-2-ynylbenzimidazol-2-yl)phenyl]methanamine
CID 82333104
5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 25128386
1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine
CID 82382499
N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 104698494
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole?
The IUPAC name of 2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole (CID 60785471) is 2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole.
What is the SMILES notation for 2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole?
The canonical SMILES for 2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole is CCn1c(-c2ccc(CCl)cc2)nc2cc(C)ccc21.
What is the InChIKey of 2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole?
The InChIKey is HQGNXIZXUZNIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-3-20-16-9-4-12(2)10-15(16)19-17(20)14-7-5-13(11-18)6-8-14/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole?
2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole has a molecular weight of 284.79 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole is sourced from PubChem (CID 60785471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).