2-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1H-imidazole

C14H15ClN2 — CID 61085662

IUPAC2-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1H-imidazole
SMILESClC(Cc1ncc[nH]1)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H15ClN2/c15-13(9-14-16-6-7-17-14)12-5-4-10-2-1-3-11(10)8-12/h4-8,13H,1-3,9H2,(H,16,17)
InChIKeyTVMVYEJQZYZCKC-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.42
Rot. Bonds3

About 2-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1H-imidazole

2-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1H-imidazole (PubChem CID 61085662) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1H-imidazole
PubChem CID61085662
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name2-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1H-imidazole
SMILESClC(Cc1ncc[nH]1)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H15ClN2/c15-13(9-14-16-6-7-17-14)12-5-4-10-2-1-3-11(10)8-12/h4-8,13H,1-3,9H2,(H,16,17)
InChIKeyTVMVYEJQZYZCKC-UHFFFAOYSA-N
XLogP3.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole
CID 61085454
2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole
CID 61085033
4-[1-chloro-2-(1H-imidazol-2-yl)ethyl]pyridine
CID 114996059
2-[2-chloro-2-(4-methoxyphenyl)ethyl]-1H-imidazole
CID 61086262
2-[2-chloro-2-(3-fluoro-4-methoxyphenyl)ethyl]-1H-imidazole
CID 62920751
5-(1-chloropropyl)-2,3-dihydro-1H-indene
CID 61086419
1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine
CID 82215291
6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 63431085
6-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 63430990
N-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutan-1-amine
CID 82215306
2-[2-bromo-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole
CID 61096174
1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820450

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1H-imidazole?
The IUPAC name of 2-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1H-imidazole (CID 61085662) is 2-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1H-imidazole is ClC(Cc1ncc[nH]1)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1H-imidazole?
The InChIKey is TVMVYEJQZYZCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c15-13(9-14-16-6-7-17-14)12-5-4-10-2-1-3-11(10)8-12/h4-8,13H,1-3,9H2,(H,16,17).
What are the key properties of 2-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1H-imidazole?
2-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1H-imidazole has a molecular weight of 246.74 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1H-imidazole is sourced from PubChem (CID 61085662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).