(2R)-2-methyl-1-[2-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]ethyl]-3-phenyl-2H-benzimidazole

C30H30N4 — CID 118071267

IUPAC(2R)-2-methyl-1-[2-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]ethyl]-3-phenyl-2H-benzimidazole
SMILESC[C@@H]1N(CCN2c3ccccc3N(c3ccccc3)[C@H]2C)c2ccccc2N1c1ccccc1
InChIInChI=1S/C30H30N4/c1-23-31(27-17-9-11-19-29(27)33(23)25-13-5-3-6-14-25)21-22-32-24(2)34(26-15-7-4-8-16-26)30-20-12-10-18-28(30)32/h3-20,23-24H,21-22H2,1-2H3/t23-,24+
InChIKeyFHBCCTVNEZRKFH-PSWAGMNNSA-N
MW446.60 g/mol
LogP6.99
Rot. Bonds5

About (2R)-2-methyl-1-[2-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]ethyl]-3-phenyl-2H-benzimidazole

(2R)-2-methyl-1-[2-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]ethyl]-3-phenyl-2H-benzimidazole (PubChem CID 118071267) has the molecular formula C30H30N4 and a molecular weight of 446.60 g/mol. Its IUPAC name is (2R)-2-methyl-1-[2-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]ethyl]-3-phenyl-2H-benzimidazole.

Molecular Properties

Compound Name(2R)-2-methyl-1-[2-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]ethyl]-3-phenyl-2H-benzimidazole
PubChem CID118071267
Molecular FormulaC30H30N4
Molecular Weight446.60 g/mol
Exact Mass446.25
IUPAC Name(2R)-2-methyl-1-[2-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]ethyl]-3-phenyl-2H-benzimidazole
SMILESC[C@@H]1N(CCN2c3ccccc3N(c3ccccc3)[C@H]2C)c2ccccc2N1c1ccccc1
InChIInChI=1S/C30H30N4/c1-23-31(27-17-9-11-19-29(27)33(23)25-13-5-3-6-14-25)21-22-32-24(2)34(26-15-7-4-8-16-26)30-20-12-10-18-28(30)32/h3-20,23-24H,21-22H2,1-2H3/t23-,24+
InChIKeyFHBCCTVNEZRKFH-PSWAGMNNSA-N
XLogP6.99
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[2-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]ethyl]-3-phenyl-2H-benzimidazole?
The IUPAC name of (2R)-2-methyl-1-[2-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]ethyl]-3-phenyl-2H-benzimidazole (CID 118071267) is (2R)-2-methyl-1-[2-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]ethyl]-3-phenyl-2H-benzimidazole.
What is the SMILES notation for (2R)-2-methyl-1-[2-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]ethyl]-3-phenyl-2H-benzimidazole?
The canonical SMILES for (2R)-2-methyl-1-[2-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]ethyl]-3-phenyl-2H-benzimidazole is C[C@@H]1N(CCN2c3ccccc3N(c3ccccc3)[C@H]2C)c2ccccc2N1c1ccccc1.
What is the InChIKey of (2R)-2-methyl-1-[2-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]ethyl]-3-phenyl-2H-benzimidazole?
The InChIKey is FHBCCTVNEZRKFH-PSWAGMNNSA-N. The full InChI is InChI=1S/C30H30N4/c1-23-31(27-17-9-11-19-29(27)33(23)25-13-5-3-6-14-25)21-22-32-24(2)34(26-15-7-4-8-16-26)30-20-12-10-18-28(30)32/h3-20,23-24H,21-22H2,1-2H3/t23-,24+.
What are the key properties of (2R)-2-methyl-1-[2-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]ethyl]-3-phenyl-2H-benzimidazole?
(2R)-2-methyl-1-[2-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]ethyl]-3-phenyl-2H-benzimidazole has a molecular weight of 446.60 g/mol, XLogP of 6.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[2-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]ethyl]-3-phenyl-2H-benzimidazole is sourced from PubChem (CID 118071267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).