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

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

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Related Compounds

Alobresib
CID 86281210
4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole
CID 86301666
Bet-IN-19
CID 121375819
5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-1-[2-(Morpholin-4-Yl)ethyl]-2-(2-Phenylethyl)-1h-Benzimidazole
CID 72201025
2-[1-[2-[(5-Cyclopropyl-3-methyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225497
2-[1-[2-[(3,5-Dicyclopropyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225804
4-[[6-(3,5-Dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile
CID 71720056
6-(3,5-dimethylisoxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 86296389
1-benzyl-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-4-amine
CID 86566737
4-[1-(4-Fluorophenyl)-2-methylimidazo[4,5-c]quinolin-8-yl]-3,5-dimethyl-1,2-oxazole
CID 168281528
Isox inact
CID 121237856
Bet-IN-20
CID 70664192

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).