1,3-bis[(1S)-1-naphthalen-1-ylethyl]-2H-imidazole

C27H26N2 — CID 101382105

IUPAC1,3-bis[(1S)-1-naphthalen-1-ylethyl]-2H-imidazole
SMILESC[C@@H](c1cccc2ccccc12)N1C=CN([C@@H](C)c2cccc3ccccc23)C1
InChIInChI=1S/C27H26N2/c1-20(24-15-7-11-22-9-3-5-13-26(22)24)28-17-18-29(19-28)21(2)25-16-8-12-23-10-4-6-14-27(23)25/h3-18,20-21H,19H2,1-2H3/t20-,21-/m0/s1
InChIKeyCYPLHBQOKKNBSN-SFTDATJTSA-N
MW378.52 g/mol
LogP6.86
Rot. Bonds4

About 1,3-bis[(1S)-1-naphthalen-1-ylethyl]-2H-imidazole

1,3-bis[(1S)-1-naphthalen-1-ylethyl]-2H-imidazole (PubChem CID 101382105) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1,3-bis[(1S)-1-naphthalen-1-ylethyl]-2H-imidazole.

Molecular Properties

Compound Name1,3-bis[(1S)-1-naphthalen-1-ylethyl]-2H-imidazole
PubChem CID101382105
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Name1,3-bis[(1S)-1-naphthalen-1-ylethyl]-2H-imidazole
SMILESC[C@@H](c1cccc2ccccc12)N1C=CN([C@@H](C)c2cccc3ccccc23)C1
InChIInChI=1S/C27H26N2/c1-20(24-15-7-11-22-9-3-5-13-26(22)24)28-17-18-29(19-28)21(2)25-16-8-12-23-10-4-6-14-27(23)25/h3-18,20-21H,19H2,1-2H3/t20-,21-/m0/s1
InChIKeyCYPLHBQOKKNBSN-SFTDATJTSA-N
XLogP6.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(1S)-1-naphthalen-1-ylethyl]-2H-imidazole?
The IUPAC name of 1,3-bis[(1S)-1-naphthalen-1-ylethyl]-2H-imidazole (CID 101382105) is 1,3-bis[(1S)-1-naphthalen-1-ylethyl]-2H-imidazole.
What is the SMILES notation for 1,3-bis[(1S)-1-naphthalen-1-ylethyl]-2H-imidazole?
The canonical SMILES for 1,3-bis[(1S)-1-naphthalen-1-ylethyl]-2H-imidazole is C[C@@H](c1cccc2ccccc12)N1C=CN([C@@H](C)c2cccc3ccccc23)C1.
What is the InChIKey of 1,3-bis[(1S)-1-naphthalen-1-ylethyl]-2H-imidazole?
The InChIKey is CYPLHBQOKKNBSN-SFTDATJTSA-N. The full InChI is InChI=1S/C27H26N2/c1-20(24-15-7-11-22-9-3-5-13-26(22)24)28-17-18-29(19-28)21(2)25-16-8-12-23-10-4-6-14-27(23)25/h3-18,20-21H,19H2,1-2H3/t20-,21-/m0/s1.
What are the key properties of 1,3-bis[(1S)-1-naphthalen-1-ylethyl]-2H-imidazole?
1,3-bis[(1S)-1-naphthalen-1-ylethyl]-2H-imidazole has a molecular weight of 378.52 g/mol, XLogP of 6.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(1S)-1-naphthalen-1-ylethyl]-2H-imidazole is sourced from PubChem (CID 101382105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).