1-methyl-2-[1-[2-methyl-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole

C22H22N6 — CID 71550230

IUPAC1-methyl-2-[1-[2-methyl-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole
SMILESCc1cccc(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)n1
InChIInChI=1S/C22H22N6/c1-14-7-6-9-17(23-14)19-11-21(25-15(2)24-19)28-12-16(13-28)22-26-18-8-4-5-10-20(18)27(22)3/h4-11,16H,12-13H2,1-3H3
InChIKeyOOVVZTHIMXFFIR-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.65
Rot. Bonds3

About 1-methyl-2-[1-[2-methyl-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole

1-methyl-2-[1-[2-methyl-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole (PubChem CID 71550230) has the molecular formula C22H22N6 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-methyl-2-[1-[2-methyl-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[1-[2-methyl-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole
PubChem CID71550230
Molecular FormulaC22H22N6
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC Name1-methyl-2-[1-[2-methyl-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole
SMILESCc1cccc(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)n1
InChIInChI=1S/C22H22N6/c1-14-7-6-9-17(23-14)19-11-21(25-15(2)24-19)28-12-16(13-28)22-26-18-8-4-5-10-20(18)27(22)3/h4-11,16H,12-13H2,1-3H3
InChIKeyOOVVZTHIMXFFIR-UHFFFAOYSA-N
XLogP3.65
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[1-[2-methyl-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole?
The IUPAC name of 1-methyl-2-[1-[2-methyl-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole (CID 71550230) is 1-methyl-2-[1-[2-methyl-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[1-[2-methyl-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole?
The canonical SMILES for 1-methyl-2-[1-[2-methyl-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole is Cc1cccc(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)n1.
What is the InChIKey of 1-methyl-2-[1-[2-methyl-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole?
The InChIKey is OOVVZTHIMXFFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6/c1-14-7-6-9-17(23-14)19-11-21(25-15(2)24-19)28-12-16(13-28)22-26-18-8-4-5-10-20(18)27(22)3/h4-11,16H,12-13H2,1-3H3.
What are the key properties of 1-methyl-2-[1-[2-methyl-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole?
1-methyl-2-[1-[2-methyl-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole has a molecular weight of 370.46 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[1-[2-methyl-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole is sourced from PubChem (CID 71550230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).