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

C29H17N5O2 — CID 140991064

IUPAC4-(1H-benzimidazol-2-yl)-3-(1,3-benzoxazol-2-yl)-5-(1H-indol-2-yl)-1,2-benzoxazole
SMILESc1ccc2[nH]c(-c3ccc4onc(-c5nc6ccccc6o5)c4c3-c3nc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C29H17N5O2/c1-2-8-18-16(7-1)15-22(30-18)17-13-14-24-26(25(17)28-31-19-9-3-4-10-20(19)32-28)27(34-36-24)29-33-21-11-5-6-12-23(21)35-29/h1-15,30H,(H,31,32)
InChIKeyUEBZJVXPMPFDML-UHFFFAOYSA-N
MW467.49 g/mol
LogP7.33
Rot. Bonds3

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

4-(1H-benzimidazol-2-yl)-3-(1,3-benzoxazol-2-yl)-5-(1H-indol-2-yl)-1,2-benzoxazole (PubChem CID 140991064) has the molecular formula C29H17N5O2 and a molecular weight of 467.49 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-3-(1,3-benzoxazol-2-yl)-5-(1H-indol-2-yl)-1,2-benzoxazole.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-3-(1,3-benzoxazol-2-yl)-5-(1H-indol-2-yl)-1,2-benzoxazole
PubChem CID140991064
Molecular FormulaC29H17N5O2
Molecular Weight467.49 g/mol
Exact Mass467.14
IUPAC Name4-(1H-benzimidazol-2-yl)-3-(1,3-benzoxazol-2-yl)-5-(1H-indol-2-yl)-1,2-benzoxazole
SMILESc1ccc2[nH]c(-c3ccc4onc(-c5nc6ccccc6o5)c4c3-c3nc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C29H17N5O2/c1-2-8-18-16(7-1)15-22(30-18)17-13-14-24-26(25(17)28-31-19-9-3-4-10-20(19)32-28)27(34-36-24)29-33-21-11-5-6-12-23(21)35-29/h1-15,30H,(H,31,32)
InChIKeyUEBZJVXPMPFDML-UHFFFAOYSA-N
XLogP7.33
TPSA96.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.49
LogP ≤ 57.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(1H-benzimidazol-2-yl)-3-(1,3-benzoxazol-2-yl)-5-(1H-indol-2-yl)-1,2-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{4-[5-(1,3-Benzoxazol-2-YL)-1H-1,3-benzodiazol-2-YL]phenyl}-4-nitrobenzamide
CID 4614056
6-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-8-fluoro-1-N,6-N-diphenyldibenzofuran-1,6-diamine
CID 164805695
2-methyl-4-(4-methyl-1H-benzimidazol-2-yl)-5-phenyl-1,3-benzoxazole
CID 54383460
2-[3-(1H-benzimidazol-2-yl)-4-dibenzofuran-1-ylhexan-3-yl]-1,3-benzoxazole
CID 91063216
N-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-2-methyl-4-propan-2-yl-1,3-oxazol-5-amine
CID 118340790
5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-1,3-benzoxazole
CID 121293171
7-[4-[2-(24-Oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)benzimidazol-1-yl]phenyl]-24-(1-phenylbenzimidazol-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
CID 130369552
22-(9-Phenylcarbazol-3-yl)-3-[3-(2-phenylphenyl)-[1]benzofuro[2,3-b]pyrazin-2-yl]-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19(24),20,22,25-tridecaene
CID 134410558
2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-7,7-dimethyl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
CID 135627054
3-(1H-benzimidazol-2-yl)-6-(1,3-benzoxazol-2-yl)naphthalen-2-ol
CID 135763173
2-[4-[3-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10H-[1,3]oxazolo[4,5-a]carbazole
CID 138474065
2-[4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10H-[1,3]oxazolo[4,5-a]carbazole
CID 138474067

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-3-(1,3-benzoxazol-2-yl)-5-(1H-indol-2-yl)-1,2-benzoxazole?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-3-(1,3-benzoxazol-2-yl)-5-(1H-indol-2-yl)-1,2-benzoxazole (CID 140991064) is 4-(1H-benzimidazol-2-yl)-3-(1,3-benzoxazol-2-yl)-5-(1H-indol-2-yl)-1,2-benzoxazole.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-3-(1,3-benzoxazol-2-yl)-5-(1H-indol-2-yl)-1,2-benzoxazole?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-3-(1,3-benzoxazol-2-yl)-5-(1H-indol-2-yl)-1,2-benzoxazole is c1ccc2[nH]c(-c3ccc4onc(-c5nc6ccccc6o5)c4c3-c3nc4ccccc4[nH]3)cc2c1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-3-(1,3-benzoxazol-2-yl)-5-(1H-indol-2-yl)-1,2-benzoxazole?
The InChIKey is UEBZJVXPMPFDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17N5O2/c1-2-8-18-16(7-1)15-22(30-18)17-13-14-24-26(25(17)28-31-19-9-3-4-10-20(19)32-28)27(34-36-24)29-33-21-11-5-6-12-23(21)35-29/h1-15,30H,(H,31,32).
What are the key properties of 4-(1H-benzimidazol-2-yl)-3-(1,3-benzoxazol-2-yl)-5-(1H-indol-2-yl)-1,2-benzoxazole?
4-(1H-benzimidazol-2-yl)-3-(1,3-benzoxazol-2-yl)-5-(1H-indol-2-yl)-1,2-benzoxazole has a molecular weight of 467.49 g/mol, XLogP of 7.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-3-(1,3-benzoxazol-2-yl)-5-(1H-indol-2-yl)-1,2-benzoxazole is sourced from PubChem (CID 140991064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).