4-(6-methyl-2-quinolin-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine

C26H24N6O — CID 158666275

IUPAC4-(6-methyl-2-quinolin-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine
SMILESCc1ccc2nc(-c3ccc4ccccc4n3)n(-c3ccnc(NC4CCOCC4)n3)c2c1
InChIInChI=1S/C26H24N6O/c1-17-6-8-21-23(16-17)32(24-10-13-27-26(31-24)28-19-11-14-33-15-12-19)25(30-21)22-9-7-18-4-2-3-5-20(18)29-22/h2-10,13,16,19H,11-12,14-15H2,1H3,(H,27,28,31)
InChIKeyXJBWVEJCYXDICL-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.93
Rot. Bonds4

About 4-(6-methyl-2-quinolin-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine

4-(6-methyl-2-quinolin-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine (PubChem CID 158666275) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-(6-methyl-2-quinolin-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-methyl-2-quinolin-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine
PubChem CID158666275
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name4-(6-methyl-2-quinolin-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine
SMILESCc1ccc2nc(-c3ccc4ccccc4n3)n(-c3ccnc(NC4CCOCC4)n3)c2c1
InChIInChI=1S/C26H24N6O/c1-17-6-8-21-23(16-17)32(24-10-13-27-26(31-24)28-19-11-14-33-15-12-19)25(30-21)22-9-7-18-4-2-3-5-20(18)29-22/h2-10,13,16,19H,11-12,14-15H2,1H3,(H,27,28,31)
InChIKeyXJBWVEJCYXDICL-UHFFFAOYSA-N
XLogP4.93
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-quinolin-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(6-methyl-2-quinolin-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine (CID 158666275) is 4-(6-methyl-2-quinolin-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(6-methyl-2-quinolin-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(6-methyl-2-quinolin-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine is Cc1ccc2nc(-c3ccc4ccccc4n3)n(-c3ccnc(NC4CCOCC4)n3)c2c1.
What is the InChIKey of 4-(6-methyl-2-quinolin-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine?
The InChIKey is XJBWVEJCYXDICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c1-17-6-8-21-23(16-17)32(24-10-13-27-26(31-24)28-19-11-14-33-15-12-19)25(30-21)22-9-7-18-4-2-3-5-20(18)29-22/h2-10,13,16,19H,11-12,14-15H2,1H3,(H,27,28,31).
What are the key properties of 4-(6-methyl-2-quinolin-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine?
4-(6-methyl-2-quinolin-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine has a molecular weight of 436.52 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-quinolin-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 158666275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).