4-[2-cyclopropyl-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C26H24N4O — CID 86282419

IUPAC4-[2-cyclopropyl-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2nc(C3CC3)n(C)c12
InChIInChI=1S/C26H24N4O/c1-14-7-10-21-19(6-5-11-27-21)23(14)20-12-18(24-15(2)29-31-16(24)3)13-22-25(20)30(4)26(28-22)17-8-9-17/h5-7,10-13,17H,8-9H2,1-4H3
InChIKeyMDMMPXBYWBPZAT-UHFFFAOYSA-N
MW408.51 g/mol
LogP6.25
Rot. Bonds3

About 4-[2-cyclopropyl-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

4-[2-cyclopropyl-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 86282419) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is 4-[2-cyclopropyl-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-cyclopropyl-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID86282419
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name4-[2-cyclopropyl-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2nc(C3CC3)n(C)c12
InChIInChI=1S/C26H24N4O/c1-14-7-10-21-19(6-5-11-27-21)23(14)20-12-18(24-15(2)29-31-16(24)3)13-22-25(20)30(4)26(28-22)17-8-9-17/h5-7,10-13,17H,8-9H2,1-4H3
InChIKeyMDMMPXBYWBPZAT-UHFFFAOYSA-N
XLogP6.25
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[2-cyclopropyl-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 86282419) is 4-[2-cyclopropyl-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[2-cyclopropyl-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[2-cyclopropyl-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2nc(C3CC3)n(C)c12.
What is the InChIKey of 4-[2-cyclopropyl-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is MDMMPXBYWBPZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c1-14-7-10-21-19(6-5-11-27-21)23(14)20-12-18(24-15(2)29-31-16(24)3)13-22-25(20)30(4)26(28-22)17-8-9-17/h5-7,10-13,17H,8-9H2,1-4H3.
What are the key properties of 4-[2-cyclopropyl-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[2-cyclopropyl-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 408.51 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropyl-1-methyl-7-(6-methylquinolin-5-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 86282419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).