(2R)-1-[6-(2,6-dimethylphenyl)-4-methyl-3-pyridinyl]-3-(2,6-diphenylphenyl)-2-methyl-2H-benzimidazole

C40H35N3 — CID 118441330

IUPAC(2R)-1-[6-(2,6-dimethylphenyl)-4-methyl-3-pyridinyl]-3-(2,6-diphenylphenyl)-2-methyl-2H-benzimidazole
SMILESCc1cc(-c2c(C)cccc2C)ncc1N1c2ccccc2N(c2c(-c3ccccc3)cccc2-c2ccccc2)[C@H]1C
InChIInChI=1S/C40H35N3/c1-27-15-13-16-28(2)39(27)35-25-29(3)38(26-41-35)42-30(4)43(37-24-12-11-23-36(37)42)40-33(31-17-7-5-8-18-31)21-14-22-34(40)32-19-9-6-10-20-32/h5-26,30H,1-4H3/t30-/m0/s1
InChIKeyPEXXRCAHBROHOT-PMERELPUSA-N
MW557.74 g/mol
LogP10.64
Rot. Bonds5

About (2R)-1-[6-(2,6-dimethylphenyl)-4-methyl-3-pyridinyl]-3-(2,6-diphenylphenyl)-2-methyl-2H-benzimidazole

(2R)-1-[6-(2,6-dimethylphenyl)-4-methyl-3-pyridinyl]-3-(2,6-diphenylphenyl)-2-methyl-2H-benzimidazole (PubChem CID 118441330) has the molecular formula C40H35N3 and a molecular weight of 557.74 g/mol. Its IUPAC name is (2R)-1-[6-(2,6-dimethylphenyl)-4-methyl-3-pyridinyl]-3-(2,6-diphenylphenyl)-2-methyl-2H-benzimidazole.

Molecular Properties

Compound Name(2R)-1-[6-(2,6-dimethylphenyl)-4-methyl-3-pyridinyl]-3-(2,6-diphenylphenyl)-2-methyl-2H-benzimidazole
PubChem CID118441330
Molecular FormulaC40H35N3
Molecular Weight557.74 g/mol
Exact Mass557.28
IUPAC Name(2R)-1-[6-(2,6-dimethylphenyl)-4-methyl-3-pyridinyl]-3-(2,6-diphenylphenyl)-2-methyl-2H-benzimidazole
SMILESCc1cc(-c2c(C)cccc2C)ncc1N1c2ccccc2N(c2c(-c3ccccc3)cccc2-c2ccccc2)[C@H]1C
InChIInChI=1S/C40H35N3/c1-27-15-13-16-28(2)39(27)35-25-29(3)38(26-41-35)42-30(4)43(37-24-12-11-23-36(37)42)40-33(31-17-7-5-8-18-31)21-14-22-34(40)32-19-9-6-10-20-32/h5-26,30H,1-4H3/t30-/m0/s1
InChIKeyPEXXRCAHBROHOT-PMERELPUSA-N
XLogP10.64
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.74
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[6-(2,6-dimethylphenyl)-4-methyl-3-pyridinyl]-3-(2,6-diphenylphenyl)-2-methyl-2H-benzimidazole?
The IUPAC name of (2R)-1-[6-(2,6-dimethylphenyl)-4-methyl-3-pyridinyl]-3-(2,6-diphenylphenyl)-2-methyl-2H-benzimidazole (CID 118441330) is (2R)-1-[6-(2,6-dimethylphenyl)-4-methyl-3-pyridinyl]-3-(2,6-diphenylphenyl)-2-methyl-2H-benzimidazole.
What is the SMILES notation for (2R)-1-[6-(2,6-dimethylphenyl)-4-methyl-3-pyridinyl]-3-(2,6-diphenylphenyl)-2-methyl-2H-benzimidazole?
The canonical SMILES for (2R)-1-[6-(2,6-dimethylphenyl)-4-methyl-3-pyridinyl]-3-(2,6-diphenylphenyl)-2-methyl-2H-benzimidazole is Cc1cc(-c2c(C)cccc2C)ncc1N1c2ccccc2N(c2c(-c3ccccc3)cccc2-c2ccccc2)[C@H]1C.
What is the InChIKey of (2R)-1-[6-(2,6-dimethylphenyl)-4-methyl-3-pyridinyl]-3-(2,6-diphenylphenyl)-2-methyl-2H-benzimidazole?
The InChIKey is PEXXRCAHBROHOT-PMERELPUSA-N. The full InChI is InChI=1S/C40H35N3/c1-27-15-13-16-28(2)39(27)35-25-29(3)38(26-41-35)42-30(4)43(37-24-12-11-23-36(37)42)40-33(31-17-7-5-8-18-31)21-14-22-34(40)32-19-9-6-10-20-32/h5-26,30H,1-4H3/t30-/m0/s1.
What are the key properties of (2R)-1-[6-(2,6-dimethylphenyl)-4-methyl-3-pyridinyl]-3-(2,6-diphenylphenyl)-2-methyl-2H-benzimidazole?
(2R)-1-[6-(2,6-dimethylphenyl)-4-methyl-3-pyridinyl]-3-(2,6-diphenylphenyl)-2-methyl-2H-benzimidazole has a molecular weight of 557.74 g/mol, XLogP of 10.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[6-(2,6-dimethylphenyl)-4-methyl-3-pyridinyl]-3-(2,6-diphenylphenyl)-2-methyl-2H-benzimidazole is sourced from PubChem (CID 118441330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).