5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole

C13H15ClN2 — CID 66151874

IUPAC5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole
SMILESCc1cccc(CCn2cncc2CCl)c1
InChIInChI=1S/C13H15ClN2/c1-11-3-2-4-12(7-11)5-6-16-10-15-9-13(16)8-14/h2-4,7,9-10H,5-6,8H2,1H3
InChIKeyLZLWLJWZYIAMHR-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.17
Rot. Bonds4

About 5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole

5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole (PubChem CID 66151874) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole
PubChem CID66151874
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole
SMILESCc1cccc(CCn2cncc2CCl)c1
InChIInChI=1S/C13H15ClN2/c1-11-3-2-4-12(7-11)5-6-16-10-15-9-13(16)8-14/h2-4,7,9-10H,5-6,8H2,1H3
InChIKeyLZLWLJWZYIAMHR-UHFFFAOYSA-N
XLogP3.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.17
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

3-[2-[5-(chloromethyl)imidazol-1-yl]ethyl]pyridine
CID 66152277
5-(chloromethyl)-1-(2-naphthalen-2-ylethyl)imidazole
CID 18670905
5-(chloromethyl)-1-[2-(3,5-difluorophenyl)ethyl]imidazole
CID 66149176
5-(chloromethyl)-1-[2-(4-fluorophenyl)ethyl]imidazole;hydrochloride
CID 18410175
N-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66145704
5-(chloromethyl)-1-(3-fluoropropyl)imidazole
CID 130504730
2-[[4-[2-(3-methylphenyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 62314299
2-(3-methylphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 66129442
(3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidin-2-one
CID 58120227
4-(difluoromethyl)-1-[2-(3-methylphenyl)ethyl]pyrazole
CID 167892385
3-[2-(3-methylphenyl)ethyl]-1H-imidazol-2-one
CID 103125537
3-chloro-5-methyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole
CID 63385719

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole?
The IUPAC name of 5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole (CID 66151874) is 5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole.
What is the SMILES notation for 5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole?
The canonical SMILES for 5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole is Cc1cccc(CCn2cncc2CCl)c1.
What is the InChIKey of 5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole?
The InChIKey is LZLWLJWZYIAMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-11-3-2-4-12(7-11)5-6-16-10-15-9-13(16)8-14/h2-4,7,9-10H,5-6,8H2,1H3.
What are the key properties of 5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole?
5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole has a molecular weight of 234.73 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole is sourced from PubChem (CID 66151874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).