4-[2-[2-[1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2-methylbenzimidazol-4-yl]cyclopropyl]-7-(2-methylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C42H38N10O2 — CID 134571763

IUPAC4-[2-[2-[1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2-methylbenzimidazol-4-yl]cyclopropyl]-7-(2-methylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(-n2ccnc2C)c2nc(C3CC3c3cccc4c3nc(C)n4-c3cc(-c4c(C)noc4C)cc4[nH]c(C5CC5)nc34)[nH]c2c1
InChIInChI=1S/C42H38N10O2/c1-19-36(21(3)53-49-19)26-14-31-39(34(16-26)51-13-12-43-23(51)5)48-42(46-31)30-18-29(30)28-8-7-9-33-38(28)44-24(6)52(33)35-17-27(37-20(2)50-54-22(37)4)15-32-40(35)47-41(45-32)25-10-11-25/h7-9,12-17,25,29-30H,10-11,18H2,1-6H3,(H,45,47)(H,46,48)
InChIKeyZXJRFWBPHWRBMI-UHFFFAOYSA-N
MW714.83 g/mol
LogP9.27
Rot. Bonds7

About 4-[2-[2-[1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2-methylbenzimidazol-4-yl]cyclopropyl]-7-(2-methylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

4-[2-[2-[1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2-methylbenzimidazol-4-yl]cyclopropyl]-7-(2-methylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 134571763) has the molecular formula C42H38N10O2 and a molecular weight of 714.83 g/mol. Its IUPAC name is 4-[2-[2-[1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2-methylbenzimidazol-4-yl]cyclopropyl]-7-(2-methylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-[2-[1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2-methylbenzimidazol-4-yl]cyclopropyl]-7-(2-methylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID134571763
Molecular FormulaC42H38N10O2
Molecular Weight714.83 g/mol
Exact Mass714.32
IUPAC Name4-[2-[2-[1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2-methylbenzimidazol-4-yl]cyclopropyl]-7-(2-methylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(-n2ccnc2C)c2nc(C3CC3c3cccc4c3nc(C)n4-c3cc(-c4c(C)noc4C)cc4[nH]c(C5CC5)nc34)[nH]c2c1
InChIInChI=1S/C42H38N10O2/c1-19-36(21(3)53-49-19)26-14-31-39(34(16-26)51-13-12-43-23(51)5)48-42(46-31)30-18-29(30)28-8-7-9-33-38(28)44-24(6)52(33)35-17-27(37-20(2)50-54-22(37)4)15-32-40(35)47-41(45-32)25-10-11-25/h7-9,12-17,25,29-30H,10-11,18H2,1-6H3,(H,45,47)(H,46,48)
InChIKeyZXJRFWBPHWRBMI-UHFFFAOYSA-N
XLogP9.27
TPSA145.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.83
LogP ≤ 59.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[2-[2-[1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2-methylbenzimidazol-4-yl]cyclopropyl]-7-(2-methylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2-methylbenzimidazol-4-yl]cyclopropyl]-7-(2-methylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[2-[2-[1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2-methylbenzimidazol-4-yl]cyclopropyl]-7-(2-methylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 134571763) is 4-[2-[2-[1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2-methylbenzimidazol-4-yl]cyclopropyl]-7-(2-methylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[2-[2-[1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2-methylbenzimidazol-4-yl]cyclopropyl]-7-(2-methylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[2-[2-[1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2-methylbenzimidazol-4-yl]cyclopropyl]-7-(2-methylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cc(-n2ccnc2C)c2nc(C3CC3c3cccc4c3nc(C)n4-c3cc(-c4c(C)noc4C)cc4[nH]c(C5CC5)nc34)[nH]c2c1.
What is the InChIKey of 4-[2-[2-[1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2-methylbenzimidazol-4-yl]cyclopropyl]-7-(2-methylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is ZXJRFWBPHWRBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38N10O2/c1-19-36(21(3)53-49-19)26-14-31-39(34(16-26)51-13-12-43-23(51)5)48-42(46-31)30-18-29(30)28-8-7-9-33-38(28)44-24(6)52(33)35-17-27(37-20(2)50-54-22(37)4)15-32-40(35)47-41(45-32)25-10-11-25/h7-9,12-17,25,29-30H,10-11,18H2,1-6H3,(H,45,47)(H,46,48).
What are the key properties of 4-[2-[2-[1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2-methylbenzimidazol-4-yl]cyclopropyl]-7-(2-methylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[2-[2-[1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2-methylbenzimidazol-4-yl]cyclopropyl]-7-(2-methylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 714.83 g/mol, XLogP of 9.27, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2-methylbenzimidazol-4-yl]cyclopropyl]-7-(2-methylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 134571763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).