2-[(1R)-1-chloroethyl]-1-cyclopropylimidazole

C8H11ClN2 — CID 97175253

IUPAC2-[(1R)-1-chloroethyl]-1-cyclopropylimidazole
SMILESC[C@@H](Cl)c1nccn1C1CC1
InChIInChI=1S/C8H11ClN2/c1-6(9)8-10-4-5-11(8)7-2-3-7/h4-7H,2-3H2,1H3/t6-/m1/s1
InChIKeyFIDROZYKWBFOMP-ZCFIWIBFSA-N
MW170.64 g/mol
LogP2.52
Rot. Bonds2

About 2-[(1R)-1-chloroethyl]-1-cyclopropylimidazole

2-[(1R)-1-chloroethyl]-1-cyclopropylimidazole (PubChem CID 97175253) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 2-[(1R)-1-chloroethyl]-1-cyclopropylimidazole.

Molecular Properties

Compound Name2-[(1R)-1-chloroethyl]-1-cyclopropylimidazole
PubChem CID97175253
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name2-[(1R)-1-chloroethyl]-1-cyclopropylimidazole
SMILESC[C@@H](Cl)c1nccn1C1CC1
InChIInChI=1S/C8H11ClN2/c1-6(9)8-10-4-5-11(8)7-2-3-7/h4-7H,2-3H2,1H3/t6-/m1/s1
InChIKeyFIDROZYKWBFOMP-ZCFIWIBFSA-N
XLogP2.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.52
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-(1-cyclohexylimidazol-2-yl)ethanol
CID 169132500
(1S)-1-(1-cyclopropylimidazol-2-yl)-N-methylethanesulfonamide
CID 97167953
1-(1-cyclopropylimidazol-2-yl)-N-propan-2-ylethanesulfonamide
CID 71633124
1-(azetidin-3-yl)-2-propan-2-ylimidazole
CID 62786118
2-(1-chloroethyl)-1-propan-2-ylimidazole
CID 71632944
N,1-dicyclopropylimidazol-2-amine
CID 106554949
cis-(1S,2R)-2-(2-propan-2-ylimidazol-1-yl)cyclopentan-1-ol
CID 129365655
tert-butyl 4-(2-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate
CID 23084185
N-cyclopentyl-1-cyclopropylimidazol-2-amine
CID 106554935
1-cyclopropyl-2-(2,2-dimethylpropyl)imidazole
CID 138748973
4-(2-chloroimidazol-1-yl)-1-methylpiperidine
CID 84733725
1-cyclopropyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557354

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-chloroethyl]-1-cyclopropylimidazole?
The IUPAC name of 2-[(1R)-1-chloroethyl]-1-cyclopropylimidazole (CID 97175253) is 2-[(1R)-1-chloroethyl]-1-cyclopropylimidazole.
What is the SMILES notation for 2-[(1R)-1-chloroethyl]-1-cyclopropylimidazole?
The canonical SMILES for 2-[(1R)-1-chloroethyl]-1-cyclopropylimidazole is C[C@@H](Cl)c1nccn1C1CC1.
What is the InChIKey of 2-[(1R)-1-chloroethyl]-1-cyclopropylimidazole?
The InChIKey is FIDROZYKWBFOMP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-6(9)8-10-4-5-11(8)7-2-3-7/h4-7H,2-3H2,1H3/t6-/m1/s1.
What are the key properties of 2-[(1R)-1-chloroethyl]-1-cyclopropylimidazole?
2-[(1R)-1-chloroethyl]-1-cyclopropylimidazole has a molecular weight of 170.64 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-chloroethyl]-1-cyclopropylimidazole is sourced from PubChem (CID 97175253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).