1-(2-chloro-2-naphthalen-2-ylethyl)imidazole

C15H13ClN2 — CID 12698973

IUPAC1-(2-chloro-2-naphthalen-2-ylethyl)imidazole
SMILESClC(Cn1ccnc1)c1ccc2ccccc2c1
InChIInChI=1S/C15H13ClN2/c16-15(10-18-8-7-17-11-18)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,11,15H,10H2
InChIKeySIHBPMWMVOKYLU-UHFFFAOYSA-N
MW256.74 g/mol
LogP4.02
Rot. Bonds3

About 1-(2-chloro-2-naphthalen-2-ylethyl)imidazole

1-(2-chloro-2-naphthalen-2-ylethyl)imidazole (PubChem CID 12698973) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 1-(2-chloro-2-naphthalen-2-ylethyl)imidazole.

Molecular Properties

Compound Name1-(2-chloro-2-naphthalen-2-ylethyl)imidazole
PubChem CID12698973
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name1-(2-chloro-2-naphthalen-2-ylethyl)imidazole
SMILESClC(Cn1ccnc1)c1ccc2ccccc2c1
InChIInChI=1S/C15H13ClN2/c16-15(10-18-8-7-17-11-18)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,11,15H,10H2
InChIKeySIHBPMWMVOKYLU-UHFFFAOYSA-N
XLogP4.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 54.02
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-imidazol-1-yl-1-naphthalen-2-ylethyl) 2-methylbutanoate
CID 176730718
1-(2-chloro-2-naphthalen-2-ylethyl)piperidine
CID 82214628
1-(2-chloro-2-thiophen-2-ylethyl)imidazole
CID 19870532
2-imidazol-1-yl-1-phenylethanamine
CID 5195236
1-[2-(4-fluorophenyl)-2-phenylethyl]imidazole
CID 14211259
1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole
CID 21402230
2-(4-chlorophenyl)-3-imidazol-1-yl-1-naphthalen-1-ylpropan-1-amine
CID 21146658
4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine
CID 61071099
3-imidazol-1-yl-1-naphthalen-2-ylpropan-1-one
CID 3058924
1-[3-(4-tert-butylphenyl)sulfanyl-2-chloropropyl]imidazole
CID 23311306
1-[(E)-4-naphthalen-2-ylbut-3-enyl]imidazole
CID 12973087
3-imidazol-1-yl-2-phenylpropan-1-amine
CID 64538242

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-2-naphthalen-2-ylethyl)imidazole?
The IUPAC name of 1-(2-chloro-2-naphthalen-2-ylethyl)imidazole (CID 12698973) is 1-(2-chloro-2-naphthalen-2-ylethyl)imidazole.
What is the SMILES notation for 1-(2-chloro-2-naphthalen-2-ylethyl)imidazole?
The canonical SMILES for 1-(2-chloro-2-naphthalen-2-ylethyl)imidazole is ClC(Cn1ccnc1)c1ccc2ccccc2c1.
What is the InChIKey of 1-(2-chloro-2-naphthalen-2-ylethyl)imidazole?
The InChIKey is SIHBPMWMVOKYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c16-15(10-18-8-7-17-11-18)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,11,15H,10H2.
What are the key properties of 1-(2-chloro-2-naphthalen-2-ylethyl)imidazole?
1-(2-chloro-2-naphthalen-2-ylethyl)imidazole has a molecular weight of 256.74 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-2-naphthalen-2-ylethyl)imidazole is sourced from PubChem (CID 12698973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).