2-[(1R,3S)-3-(2-methylimidazol-1-yl)cyclopentyl]-2,2-diphenylacetonitrile

C23H23N3 — CID 68601418

IUPAC2-[(1R,3S)-3-(2-methylimidazol-1-yl)cyclopentyl]-2,2-diphenylacetonitrile
SMILESCc1nccn1[C@H]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H23N3/c1-18-25-14-15-26(18)22-13-12-21(16-22)23(17-24,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,14-15,21-22H,12-13,16H2,1H3/t21-,22+/m1/s1
InChIKeySQWMGCVIXCRZDI-YADHBBJMSA-N
MW341.46 g/mol
LogP5.04
Rot. Bonds4

About 2-[(1R,3S)-3-(2-methylimidazol-1-yl)cyclopentyl]-2,2-diphenylacetonitrile

2-[(1R,3S)-3-(2-methylimidazol-1-yl)cyclopentyl]-2,2-diphenylacetonitrile (PubChem CID 68601418) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[(1R,3S)-3-(2-methylimidazol-1-yl)cyclopentyl]-2,2-diphenylacetonitrile.

Molecular Properties

Compound Name2-[(1R,3S)-3-(2-methylimidazol-1-yl)cyclopentyl]-2,2-diphenylacetonitrile
PubChem CID68601418
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name2-[(1R,3S)-3-(2-methylimidazol-1-yl)cyclopentyl]-2,2-diphenylacetonitrile
SMILESCc1nccn1[C@H]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H23N3/c1-18-25-14-15-26(18)22-13-12-21(16-22)23(17-24,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,14-15,21-22H,12-13,16H2,1H3/t21-,22+/m1/s1
InChIKeySQWMGCVIXCRZDI-YADHBBJMSA-N
XLogP5.04
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S)-3-(2-methylimidazol-1-yl)cyclopentyl]-2,2-diphenylacetonitrile?
The IUPAC name of 2-[(1R,3S)-3-(2-methylimidazol-1-yl)cyclopentyl]-2,2-diphenylacetonitrile (CID 68601418) is 2-[(1R,3S)-3-(2-methylimidazol-1-yl)cyclopentyl]-2,2-diphenylacetonitrile.
What is the SMILES notation for 2-[(1R,3S)-3-(2-methylimidazol-1-yl)cyclopentyl]-2,2-diphenylacetonitrile?
The canonical SMILES for 2-[(1R,3S)-3-(2-methylimidazol-1-yl)cyclopentyl]-2,2-diphenylacetonitrile is Cc1nccn1[C@H]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-[(1R,3S)-3-(2-methylimidazol-1-yl)cyclopentyl]-2,2-diphenylacetonitrile?
The InChIKey is SQWMGCVIXCRZDI-YADHBBJMSA-N. The full InChI is InChI=1S/C23H23N3/c1-18-25-14-15-26(18)22-13-12-21(16-22)23(17-24,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,14-15,21-22H,12-13,16H2,1H3/t21-,22+/m1/s1.
What are the key properties of 2-[(1R,3S)-3-(2-methylimidazol-1-yl)cyclopentyl]-2,2-diphenylacetonitrile?
2-[(1R,3S)-3-(2-methylimidazol-1-yl)cyclopentyl]-2,2-diphenylacetonitrile has a molecular weight of 341.46 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S)-3-(2-methylimidazol-1-yl)cyclopentyl]-2,2-diphenylacetonitrile is sourced from PubChem (CID 68601418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).