1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium

C22H22N4Os — CID 157121404

IUPAC1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium
SMILESCN1CN(c2cccc(N3CN(C)c4ccccc43)c2)c2ccccc21.[Os]
InChIInChI=1S/C22H22N4.Os/c1-23-15-25(21-12-5-3-10-19(21)23)17-8-7-9-18(14-17)26-16-24(2)20-11-4-6-13-22(20)26;/h3-14H,15-16H2,1-2H3;
InChIKeyAHZZNMSPGXLOFU-UHFFFAOYSA-N
MW532.68 g/mol
LogP4.77
Rot. Bonds2

About 1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium

1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium (PubChem CID 157121404) has the molecular formula C22H22N4Os and a molecular weight of 532.68 g/mol. Its IUPAC name is 1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium.

Molecular Properties

Compound Name1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium
PubChem CID157121404
Molecular FormulaC22H22N4Os
Molecular Weight532.68 g/mol
Exact Mass534.15
IUPAC Name1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium
SMILESCN1CN(c2cccc(N3CN(C)c4ccccc43)c2)c2ccccc21.[Os]
InChIInChI=1S/C22H22N4.Os/c1-23-15-25(21-12-5-3-10-19(21)23)17-8-7-9-18(14-17)26-16-24(2)20-11-4-6-13-22(20)26;/h3-14H,15-16H2,1-2H3;
InChIKeyAHZZNMSPGXLOFU-UHFFFAOYSA-N
XLogP4.77
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.68
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole
CID 140729745
1-[3-(4-ethenylphenyl)phenyl]-3-methyl-2H-benzimidazole
CID 59307444
[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]methyl-diphenylphosphane
CID 58978612
3-methyl-1-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-furo[2,3-d]imidazole
CID 140730371
3-methyl-1-phenyl-2H-benzimidazole-4-carbonitrile
CID 153430458
1-methyl-3-[18-(3-methyl-2H-benzimidazol-1-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-2H-benzimidazole
CID 162274933
2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole
CID 165154915
5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole
CID 140730884
1-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]-3-methyl-2H-benzimidazole
CID 140841791
1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole
CID 164731879
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
4-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-2-quinolin-2-ylquinoline
CID 165377449

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium?
The IUPAC name of 1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium (CID 157121404) is 1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium.
What is the SMILES notation for 1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium?
The canonical SMILES for 1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium is CN1CN(c2cccc(N3CN(C)c4ccccc43)c2)c2ccccc21.[Os].
What is the InChIKey of 1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium?
The InChIKey is AHZZNMSPGXLOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4.Os/c1-23-15-25(21-12-5-3-10-19(21)23)17-8-7-9-18(14-17)26-16-24(2)20-11-4-6-13-22(20)26;/h3-14H,15-16H2,1-2H3;.
What are the key properties of 1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium?
1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium has a molecular weight of 532.68 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium is sourced from PubChem (CID 157121404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).