4-(1H-benzimidazol-2-yl)-5-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-1,2-benzoxazole

C29H18N6O — CID 140973574

IUPAC4-(1H-benzimidazol-2-yl)-5-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-1,2-benzoxazole
SMILESc1ccc2[nH]c(-c3noc4ccc(-c5n[nH]c6ccccc56)c(-c5nc6ccccc6[nH]5)c34)cc2c1
InChIInChI=1S/C29H18N6O/c1-3-9-19-16(7-1)15-23(30-19)28-26-24(36-35-28)14-13-18(27-17-8-2-4-10-20(17)33-34-27)25(26)29-31-21-11-5-6-12-22(21)32-29/h1-15,30H,(H,31,32)(H,33,34)
InChIKeyRPPMQSPNJSWZHL-UHFFFAOYSA-N
MW466.50 g/mol
LogP7.06
Rot. Bonds3

About 4-(1H-benzimidazol-2-yl)-5-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-1,2-benzoxazole

4-(1H-benzimidazol-2-yl)-5-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-1,2-benzoxazole (PubChem CID 140973574) has the molecular formula C29H18N6O and a molecular weight of 466.50 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-5-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-1,2-benzoxazole.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-5-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-1,2-benzoxazole
PubChem CID140973574
Molecular FormulaC29H18N6O
Molecular Weight466.50 g/mol
Exact Mass466.15
IUPAC Name4-(1H-benzimidazol-2-yl)-5-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-1,2-benzoxazole
SMILESc1ccc2[nH]c(-c3noc4ccc(-c5n[nH]c6ccccc56)c(-c5nc6ccccc6[nH]5)c34)cc2c1
InChIInChI=1S/C29H18N6O/c1-3-9-19-16(7-1)15-23(30-19)28-26-24(36-35-28)14-13-18(27-17-8-2-4-10-20(17)33-34-27)25(26)29-31-21-11-5-6-12-22(21)32-29/h1-15,30H,(H,31,32)(H,33,34)
InChIKeyRPPMQSPNJSWZHL-UHFFFAOYSA-N
XLogP7.06
TPSA99.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.50
LogP ≤ 57.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyclopropyl-4-(3-methyl-5-phenyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-6-yl)-3,5-dimethylisoxazole
CID 117689397
4-(2-cyclopropyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-6-yl)-3,5-dimethylisoxazole
CID 117689434
4-[2-cyclopropyl-7-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 117689436
4-(2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole
CID 117689237
4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-2-amine
CID 117689303
4-(7-(3,5-Dimethyl-1H-pyrazol-4-yl)-2-methyl-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole
CID 117689723
4-(2-cyclobutyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-6-yl)-3,5-dimethylisoxazol e
CID 117689298
6-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-1,2-benzoxazol-3-amine
CID 44223833
4-(4-(3,5-Dimethyl-1H-pyrazol-4-yl)-2-(1-fluorocyclopropyl)-1H-benzo[d]imidazol-6-yl)-3,5-dimethylisoxazole
CID 117689420
4-[2-(difluoromethyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 117689552
4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane
CID 144744116
4-[2-(cyclobutadienyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 117689300

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-5-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-1,2-benzoxazole?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-5-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-1,2-benzoxazole (CID 140973574) is 4-(1H-benzimidazol-2-yl)-5-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-1,2-benzoxazole.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-5-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-1,2-benzoxazole?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-5-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-1,2-benzoxazole is c1ccc2[nH]c(-c3noc4ccc(-c5n[nH]c6ccccc56)c(-c5nc6ccccc6[nH]5)c34)cc2c1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-5-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-1,2-benzoxazole?
The InChIKey is RPPMQSPNJSWZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N6O/c1-3-9-19-16(7-1)15-23(30-19)28-26-24(36-35-28)14-13-18(27-17-8-2-4-10-20(17)33-34-27)25(26)29-31-21-11-5-6-12-22(21)32-29/h1-15,30H,(H,31,32)(H,33,34).
What are the key properties of 4-(1H-benzimidazol-2-yl)-5-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-1,2-benzoxazole?
4-(1H-benzimidazol-2-yl)-5-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-1,2-benzoxazole has a molecular weight of 466.50 g/mol, XLogP of 7.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-5-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-1,2-benzoxazole is sourced from PubChem (CID 140973574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).