2-(2,6-dimethylphenyl)-6-[[6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-1-phenylbenzimidazole

C34H29N5O — CID 140889780

IUPAC2-(2,6-dimethylphenyl)-6-[[6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-1-phenylbenzimidazole
SMILESCc1cccc(C)c1-c1nc2ccc(Oc3cccc(N4CN(C)c5ccccc54)n3)cc2n1-c1ccccc1
InChIInChI=1S/C34H29N5O/c1-23-11-9-12-24(2)33(23)34-35-27-20-19-26(21-30(27)39(34)25-13-5-4-6-14-25)40-32-18-10-17-31(36-32)38-22-37(3)28-15-7-8-16-29(28)38/h4-21H,22H2,1-3H3
InChIKeyPQDUIRSFJWAGFG-UHFFFAOYSA-N
MW523.64 g/mol
LogP8.04
Rot. Bonds5

About 2-(2,6-dimethylphenyl)-6-[[6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-1-phenylbenzimidazole

2-(2,6-dimethylphenyl)-6-[[6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-1-phenylbenzimidazole (PubChem CID 140889780) has the molecular formula C34H29N5O and a molecular weight of 523.64 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-6-[[6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-6-[[6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-1-phenylbenzimidazole
PubChem CID140889780
Molecular FormulaC34H29N5O
Molecular Weight523.64 g/mol
Exact Mass523.24
IUPAC Name2-(2,6-dimethylphenyl)-6-[[6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-1-phenylbenzimidazole
SMILESCc1cccc(C)c1-c1nc2ccc(Oc3cccc(N4CN(C)c5ccccc54)n3)cc2n1-c1ccccc1
InChIInChI=1S/C34H29N5O/c1-23-11-9-12-24(2)33(23)34-35-27-20-19-26(21-30(27)39(34)25-13-5-4-6-14-25)40-32-18-10-17-31(36-32)38-22-37(3)28-15-7-8-16-29(28)38/h4-21H,22H2,1-3H3
InChIKeyPQDUIRSFJWAGFG-UHFFFAOYSA-N
XLogP8.04
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.64
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[(6-pyrazol-1-yl-2-pyridinyl)oxy]benzimidazole
CID 140889772
2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole
CID 165154915
2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-pyridin-2-yloxy-1-(3-pyridin-2-ylphenyl)benzimidazole
CID 140889830
2-(3,4-dimethylphenyl)-6-methoxy-1-phenylbenzimidazole
CID 19354019
3-methyl-1-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-furo[2,3-d]imidazole
CID 140730371
1-[4-methoxy-6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]-3-methyl-2H-benzimidazole
CID 162272991
10-[2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-3-pyridinyl]-3-phenoxazin-10-ylphenyl]phenoxazine
CID 169289081
1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium
CID 157121404
9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-2-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]carbazole
CID 168848410
9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-5-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 169289039
9-[3-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]phenyl]pyrido[2,3-b]indole
CID 168848406
11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 170668607

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-6-[[6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-1-phenylbenzimidazole?
The IUPAC name of 2-(2,6-dimethylphenyl)-6-[[6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-1-phenylbenzimidazole (CID 140889780) is 2-(2,6-dimethylphenyl)-6-[[6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-1-phenylbenzimidazole.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-6-[[6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-1-phenylbenzimidazole?
The canonical SMILES for 2-(2,6-dimethylphenyl)-6-[[6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-1-phenylbenzimidazole is Cc1cccc(C)c1-c1nc2ccc(Oc3cccc(N4CN(C)c5ccccc54)n3)cc2n1-c1ccccc1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-6-[[6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-1-phenylbenzimidazole?
The InChIKey is PQDUIRSFJWAGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N5O/c1-23-11-9-12-24(2)33(23)34-35-27-20-19-26(21-30(27)39(34)25-13-5-4-6-14-25)40-32-18-10-17-31(36-32)38-22-37(3)28-15-7-8-16-29(28)38/h4-21H,22H2,1-3H3.
What are the key properties of 2-(2,6-dimethylphenyl)-6-[[6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-1-phenylbenzimidazole?
2-(2,6-dimethylphenyl)-6-[[6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-1-phenylbenzimidazole has a molecular weight of 523.64 g/mol, XLogP of 8.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-6-[[6-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-1-phenylbenzimidazole is sourced from PubChem (CID 140889780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).