cis-(1S,2R)-2-(1-tritylimidazol-4-yl)cyclopropane-1-carboxylic acid

C26H22N2O2 — CID 10938090

IUPACcis-(1S,2R)-2-(1-tritylimidazol-4-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C26H22N2O2/c29-25(30)23-16-22(23)24-17-28(18-27-24)26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18,22-23H,16H2,(H,29,30)/t22-,23+/m1/s1
InChIKeyGGJDMPXIOUAVEN-PKTZIBPZSA-N
MW394.47 g/mol
LogP4.91
Rot. Bonds6

About cis-(1S,2R)-2-(1-tritylimidazol-4-yl)cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-(1-tritylimidazol-4-yl)cyclopropane-1-carboxylic acid (PubChem CID 10938090) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is cis-(1S,2R)-2-(1-tritylimidazol-4-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-(1-tritylimidazol-4-yl)cyclopropane-1-carboxylic acid
PubChem CID10938090
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Namecis-(1S,2R)-2-(1-tritylimidazol-4-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C26H22N2O2/c29-25(30)23-16-22(23)24-17-28(18-27-24)26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18,22-23H,16H2,(H,29,30)/t22-,23+/m1/s1
InChIKeyGGJDMPXIOUAVEN-PKTZIBPZSA-N
XLogP4.91
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-2-(1-tritylimidazol-4-yl)cyclopropane-1-carbonyl azide
CID 11825927
benzyl carbamate;trans-(1R,2R)-2-(1-tritylimidazol-4-yl)cyclopropan-1-amine
CID 67573634
(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-[2-(1-tritylimidazol-4-yl)cyclopropyl]methanone
CID 5257633
[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-[(1S,2S)-2-(1-tritylimidazol-4-yl)cyclopropyl]methanone
CID 11157633
1-methyl-2-(1-tritylimidazol-4-yl)cyclopropane-1-carbaldehyde
CID 86584019
[2-methyl-3-(1-tritylimidazol-4-yl)cyclopropyl]methanol
CID 70191846
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
methyl 2-(1-methylpyrazol-4-yl)-3-(1-tritylimidazol-4-yl)cyclopropane-1-carboxylate
CID 135343162
ethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid
CID 170751211
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
4-iodo-1-tritylimidazole;palladium
CID 174711966
(2R,3S)-3-methyl-1-tritylaziridine-2-carboxylic acid
CID 87794852

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(1-tritylimidazol-4-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-(1-tritylimidazol-4-yl)cyclopropane-1-carboxylic acid (CID 10938090) is cis-(1S,2R)-2-(1-tritylimidazol-4-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-(1-tritylimidazol-4-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-(1-tritylimidazol-4-yl)cyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@H]1c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of cis-(1S,2R)-2-(1-tritylimidazol-4-yl)cyclopropane-1-carboxylic acid?
The InChIKey is GGJDMPXIOUAVEN-PKTZIBPZSA-N. The full InChI is InChI=1S/C26H22N2O2/c29-25(30)23-16-22(23)24-17-28(18-27-24)26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18,22-23H,16H2,(H,29,30)/t22-,23+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(1-tritylimidazol-4-yl)cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-(1-tritylimidazol-4-yl)cyclopropane-1-carboxylic acid has a molecular weight of 394.47 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(1-tritylimidazol-4-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 10938090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).