2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole

C34H23N5O — CID 142329290

IUPAC2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole
SMILESCn1c(-c2ccc3c4cc(-c5ncco5)ccc4n(-c4cccc(-c5ccccn5)c4)c3c2)nc2ccccc21
InChIInChI=1S/C34H23N5O/c1-38-31-11-3-2-10-29(31)37-33(38)23-12-14-26-27-20-24(34-36-17-18-40-34)13-15-30(27)39(32(26)21-23)25-8-6-7-22(19-25)28-9-4-5-16-35-28/h2-21H,1H3
InChIKeyVLUGHQINYRSRLA-UHFFFAOYSA-N
MW517.59 g/mol
LogP8.05
Rot. Bonds4

About 2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole

2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole (PubChem CID 142329290) has the molecular formula C34H23N5O and a molecular weight of 517.59 g/mol. Its IUPAC name is 2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole
PubChem CID142329290
Molecular FormulaC34H23N5O
Molecular Weight517.59 g/mol
Exact Mass517.19
IUPAC Name2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole
SMILESCn1c(-c2ccc3c4cc(-c5ncco5)ccc4n(-c4cccc(-c5ccccn5)c4)c3c2)nc2ccccc21
InChIInChI=1S/C34H23N5O/c1-38-31-11-3-2-10-29(31)37-33(38)23-12-14-26-27-20-24(34-36-17-18-40-34)13-15-30(27)39(32(26)21-23)25-8-6-7-22(19-25)28-9-4-5-16-35-28/h2-21H,1H3
InChIKeyVLUGHQINYRSRLA-UHFFFAOYSA-N
XLogP8.05
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.59
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285580
2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 142328473
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285337
2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 142329407
2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-7-pyrrol-1-ylcarbazole
CID 142329038
3,6-bis(furan-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 142328409
2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole
CID 142329489
2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
CID 142328728
2-(1-methyl-7-pyridin-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285156
2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole
CID 153285674
2-[1-methyl-7-(1-methylimidazol-2-yl)benzimidazol-2-yl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 142328673
2-[3-(1,3-oxazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142329611

Frequently Asked Questions

What is the IUPAC name of 2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole?
The IUPAC name of 2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole (CID 142329290) is 2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole.
What is the SMILES notation for 2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole?
The canonical SMILES for 2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole is Cn1c(-c2ccc3c4cc(-c5ncco5)ccc4n(-c4cccc(-c5ccccn5)c4)c3c2)nc2ccccc21.
What is the InChIKey of 2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole?
The InChIKey is VLUGHQINYRSRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N5O/c1-38-31-11-3-2-10-29(31)37-33(38)23-12-14-26-27-20-24(34-36-17-18-40-34)13-15-30(27)39(32(26)21-23)25-8-6-7-22(19-25)28-9-4-5-16-35-28/h2-21H,1H3.
What are the key properties of 2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole?
2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole has a molecular weight of 517.59 g/mol, XLogP of 8.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole is sourced from PubChem (CID 142329290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).