imidazo[1,2-a]pyridin-5-ylmethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate

C18H15ClN2O2 — CID 71845987

IUPACimidazo[1,2-a]pyridin-5-ylmethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESO=C(OCc1cccc2nccn12)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O2/c19-13-6-4-12(5-7-13)15-10-16(15)18(22)23-11-14-2-1-3-17-20-8-9-21(14)17/h1-9,15-16H,10-11H2
InChIKeyXPXATBBXMNIAPP-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.83
Rot. Bonds4

About imidazo[1,2-a]pyridin-5-ylmethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate

imidazo[1,2-a]pyridin-5-ylmethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate (PubChem CID 71845987) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-5-ylmethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-5-ylmethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate
PubChem CID71845987
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Nameimidazo[1,2-a]pyridin-5-ylmethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate
SMILESO=C(OCc1cccc2nccn12)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O2/c19-13-6-4-12(5-7-13)15-10-16(15)18(22)23-11-14-2-1-3-17-20-8-9-21(14)17/h1-9,15-16H,10-11H2
InChIKeyXPXATBBXMNIAPP-UHFFFAOYSA-N
XLogP3.83
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 23027092
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone
CID 1475633
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 88976035
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903
tert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 70794725
(4-chlorophenyl) 2-phenylcyclopropane-1-carboxylate
CID 91719094
imidazo[1,2-a]pyridin-5-ylmethanethiol
CID 89093379
trans-(1-benzylimidazol-2-yl)methyl (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 95608797
2-pyrazol-1-ylethyl 2-(4-fluorophenyl)cyclopropane-1-carboxylate
CID 86862371
trans-(1-phenyl-1,2,4-triazol-3-yl)methyl (1R,2R)-2-(4-bromophenyl)cyclopropane-1-carboxylate
CID 166332387
3-pyrazol-1-ylpropyl 2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate
CID 86937828

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-5-ylmethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of imidazo[1,2-a]pyridin-5-ylmethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate (CID 71845987) is imidazo[1,2-a]pyridin-5-ylmethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for imidazo[1,2-a]pyridin-5-ylmethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for imidazo[1,2-a]pyridin-5-ylmethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate is O=C(OCc1cccc2nccn12)C1CC1c1ccc(Cl)cc1.
What is the InChIKey of imidazo[1,2-a]pyridin-5-ylmethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate?
The InChIKey is XPXATBBXMNIAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-13-6-4-12(5-7-13)15-10-16(15)18(22)23-11-14-2-1-3-17-20-8-9-21(14)17/h1-9,15-16H,10-11H2.
What are the key properties of imidazo[1,2-a]pyridin-5-ylmethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate?
imidazo[1,2-a]pyridin-5-ylmethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate has a molecular weight of 326.78 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-5-ylmethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 71845987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).