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

C22H25N7 — CID 71548698

IUPAC1-methyl-2-[1-[2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole
SMILESCc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2ccc(C(C)C)n2)n1
InChIInChI=1S/C22H25N7/c1-14(2)17-9-10-29(26-17)21-11-20(23-15(3)24-21)28-12-16(13-28)22-25-18-7-5-6-8-19(18)27(22)4/h5-11,14,16H,12-13H2,1-4H3
InChIKeyRWJGWWFZFVGTKN-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.58
Rot. Bonds4

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

1-methyl-2-[1-[2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole (PubChem CID 71548698) has the molecular formula C22H25N7 and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-methyl-2-[1-[2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[1-[2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole
PubChem CID71548698
Molecular FormulaC22H25N7
Molecular Weight387.49 g/mol
Exact Mass387.22
IUPAC Name1-methyl-2-[1-[2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole
SMILESCc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2ccc(C(C)C)n2)n1
InChIInChI=1S/C22H25N7/c1-14(2)17-9-10-29(26-17)21-11-20(23-15(3)24-21)28-12-16(13-28)22-25-18-7-5-6-8-19(18)27(22)4/h5-11,14,16H,12-13H2,1-4H3
InChIKeyRWJGWWFZFVGTKN-UHFFFAOYSA-N
XLogP3.58
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[1-[2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole?
The IUPAC name of 1-methyl-2-[1-[2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole (CID 71548698) is 1-methyl-2-[1-[2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[1-[2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole?
The canonical SMILES for 1-methyl-2-[1-[2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole is Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2ccc(C(C)C)n2)n1.
What is the InChIKey of 1-methyl-2-[1-[2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole?
The InChIKey is RWJGWWFZFVGTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7/c1-14(2)17-9-10-29(26-17)21-11-20(23-15(3)24-21)28-12-16(13-28)22-25-18-7-5-6-8-19(18)27(22)4/h5-11,14,16H,12-13H2,1-4H3.
What are the key properties of 1-methyl-2-[1-[2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole?
1-methyl-2-[1-[2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole has a molecular weight of 387.49 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[1-[2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole is sourced from PubChem (CID 71548698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).