(1,7-dimethyl-5-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-3-yl)-methyl-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-phenylsilane

C37H34N6Si — CID 140856968

IUPAC(1,7-dimethyl-5-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-3-yl)-methyl-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-phenylsilane
SMILESCc1cccc2c1nc1n(-c3ccccn3)c3cc([Si](C)(c4ccccc4)c4cccc(N5C=CN(C)C5)c4)cc(C)c3n21
InChIInChI=1S/C37H34N6Si/c1-26-12-10-17-32-35(26)39-37-42(34-18-8-9-19-38-34)33-24-31(22-27(2)36(33)43(32)37)44(4,29-14-6-5-7-15-29)30-16-11-13-28(23-30)41-21-20-40(3)25-41/h5-24H,25H2,1-4H3
InChIKeyLGYPBILPXADRPY-UHFFFAOYSA-N
MW590.81 g/mol
LogP5.72
Rot. Bonds5

About (1,7-dimethyl-5-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-3-yl)-methyl-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-phenylsilane

(1,7-dimethyl-5-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-3-yl)-methyl-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-phenylsilane (PubChem CID 140856968) has the molecular formula C37H34N6Si and a molecular weight of 590.81 g/mol. Its IUPAC name is (1,7-dimethyl-5-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-3-yl)-methyl-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-phenylsilane.

Molecular Properties

Compound Name(1,7-dimethyl-5-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-3-yl)-methyl-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-phenylsilane
PubChem CID140856968
Molecular FormulaC37H34N6Si
Molecular Weight590.81 g/mol
Exact Mass590.26
IUPAC Name(1,7-dimethyl-5-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-3-yl)-methyl-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-phenylsilane
SMILESCc1cccc2c1nc1n(-c3ccccn3)c3cc([Si](C)(c4ccccc4)c4cccc(N5C=CN(C)C5)c4)cc(C)c3n21
InChIInChI=1S/C37H34N6Si/c1-26-12-10-17-32-35(26)39-37-42(34-18-8-9-19-38-34)33-24-31(22-27(2)36(33)43(32)37)44(4,29-14-6-5-7-15-29)30-16-11-13-28(23-30)41-21-20-40(3)25-41/h5-24H,25H2,1-4H3
InChIKeyLGYPBILPXADRPY-UHFFFAOYSA-N
XLogP5.72
TPSA41.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.81
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[3-(3-methyl-2H-imidazol-1-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane
CID 140952785
4-methyl-2-phenyl-1-pyridin-2-ylbenzimidazole
CID 58121833
4-methyl-5-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazole
CID 148761934
2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 162274973
3-[[6-(3-methyl-2H-imidazol-1-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]oxy]-5-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazole
CID 155650303
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
1-methyl-3-phenyl-2H-imidazole;quinoline
CID 158967107
9,13,15,17,21-pentamethyl-4,11,13,17,19,26-hexazaheptacyclo[14.10.0.03,14.04,12.05,10.018,26.020,25]hexacosa-1(16),2,5,7,9,11,14,18,20,22,24-undecaene
CID 159622123
dimethyl-[7-methyl-5-(4-methyl-2-pyridinyl)-4H-benzimidazolo[1,2-a]benzimidazol-4-id-3-yl]-(3-pyrazol-1-ylbenzene-2-id-1-yl)silane;7-methyl-N-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-N-phenyl-5-pyridin-2-yl-4H-benzimidazolo[1,2-a]benzimidazol-4-id-3-amine;methyl-(7-methyl-5-pyridin-2-yl-4H-benzimidazolo[1,2-a]benzimidazol-4-id-3-yl)-phenyl-(3-pyrazol-1-ylbenzene-2-id-1-yl)silane;platinum;bis(platinum(2+))
CID 161177555
2-[3-(6-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-4-yl)phenyl]phenol
CID 164823466
7-methyl-3-[2-methyl-5-[1-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]phenoxy]-5-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazole
CID 140794998
6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole
CID 157127428

Frequently Asked Questions

What is the IUPAC name of (1,7-dimethyl-5-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-3-yl)-methyl-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-phenylsilane?
The IUPAC name of (1,7-dimethyl-5-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-3-yl)-methyl-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-phenylsilane (CID 140856968) is (1,7-dimethyl-5-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-3-yl)-methyl-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-phenylsilane.
What is the SMILES notation for (1,7-dimethyl-5-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-3-yl)-methyl-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-phenylsilane?
The canonical SMILES for (1,7-dimethyl-5-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-3-yl)-methyl-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-phenylsilane is Cc1cccc2c1nc1n(-c3ccccn3)c3cc([Si](C)(c4ccccc4)c4cccc(N5C=CN(C)C5)c4)cc(C)c3n21.
What is the InChIKey of (1,7-dimethyl-5-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-3-yl)-methyl-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-phenylsilane?
The InChIKey is LGYPBILPXADRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N6Si/c1-26-12-10-17-32-35(26)39-37-42(34-18-8-9-19-38-34)33-24-31(22-27(2)36(33)43(32)37)44(4,29-14-6-5-7-15-29)30-16-11-13-28(23-30)41-21-20-40(3)25-41/h5-24H,25H2,1-4H3.
What are the key properties of (1,7-dimethyl-5-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-3-yl)-methyl-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-phenylsilane?
(1,7-dimethyl-5-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-3-yl)-methyl-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-phenylsilane has a molecular weight of 590.81 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7-dimethyl-5-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazol-3-yl)-methyl-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-phenylsilane is sourced from PubChem (CID 140856968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).