1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole

C23H24N2 — CID 91030651

IUPAC1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole
SMILESC[C@H](c1ccccc1)N1CN([C@@H](C)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H24N2/c1-18(20-11-5-3-6-12-20)24-17-25(23-16-10-9-15-22(23)24)19(2)21-13-7-4-8-14-21/h3-16,18-19H,17H2,1-2H3/t18-,19+
InChIKeyPVGGDWLNICAHOE-KDURUIRLSA-N
MW328.46 g/mol
LogP5.79
Rot. Bonds4

About 1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole

1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole (PubChem CID 91030651) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole.

Molecular Properties

Compound Name1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole
PubChem CID91030651
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole
SMILESC[C@H](c1ccccc1)N1CN([C@@H](C)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H24N2/c1-18(20-11-5-3-6-12-20)24-17-25(23-16-10-9-15-22(23)24)19(2)21-13-7-4-8-14-21/h3-16,18-19H,17H2,1-2H3/t18-,19+
InChIKeyPVGGDWLNICAHOE-KDURUIRLSA-N
XLogP5.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
1,3-bis[(1S)-1-phenylethyl]-2H-imidazole;hydrochloride
CID 173292599
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one
CID 117006573
(2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 10976568
2-methyl-1-(1-phenylethyl)-4,5-dihydroimidazole
CID 70489579
[1,3-bis[(1S)-1-phenylethyl]-1,3-diazinan-2-ylidene]-dimethylazanium
CID 10738008
4-[1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]phenol
CID 82980835
3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one
CID 20820546
4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 66713329
4-(1-aminoethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 54042387
4-[(1S)-1-aminoethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 118476453

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole?
The IUPAC name of 1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole (CID 91030651) is 1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole.
What is the SMILES notation for 1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole?
The canonical SMILES for 1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole is C[C@H](c1ccccc1)N1CN([C@@H](C)c2ccccc2)c2ccccc21.
What is the InChIKey of 1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole?
The InChIKey is PVGGDWLNICAHOE-KDURUIRLSA-N. The full InChI is InChI=1S/C23H24N2/c1-18(20-11-5-3-6-12-20)24-17-25(23-16-10-9-15-22(23)24)19(2)21-13-7-4-8-14-21/h3-16,18-19H,17H2,1-2H3/t18-,19+.
What are the key properties of 1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole?
1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole has a molecular weight of 328.46 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole is sourced from PubChem (CID 91030651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).