2-tert-butyl-1-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]benzimidazole

C19H23N5 — CID 154575917

IUPAC2-tert-butyl-1-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]benzimidazole
SMILESCc1cc(N2CC(n3c(C(C)(C)C)nc4ccccc43)C2)ncn1
InChIInChI=1S/C19H23N5/c1-13-9-17(21-12-20-13)23-10-14(11-23)24-16-8-6-5-7-15(16)22-18(24)19(2,3)4/h5-9,12,14H,10-11H2,1-4H3
InChIKeySTVOXEDVOPKLNQ-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.49
Rot. Bonds2

About 2-tert-butyl-1-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]benzimidazole

2-tert-butyl-1-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]benzimidazole (PubChem CID 154575917) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-tert-butyl-1-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]benzimidazole.

Molecular Properties

Compound Name2-tert-butyl-1-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]benzimidazole
PubChem CID154575917
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name2-tert-butyl-1-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]benzimidazole
SMILESCc1cc(N2CC(n3c(C(C)(C)C)nc4ccccc43)C2)ncn1
InChIInChI=1S/C19H23N5/c1-13-9-17(21-12-20-13)23-10-14(11-23)24-16-8-6-5-7-15(16)22-18(24)19(2,3)4/h5-9,12,14H,10-11H2,1-4H3
InChIKeySTVOXEDVOPKLNQ-UHFFFAOYSA-N
XLogP3.49
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-1-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]benzimidazole?
The IUPAC name of 2-tert-butyl-1-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]benzimidazole (CID 154575917) is 2-tert-butyl-1-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]benzimidazole.
What is the SMILES notation for 2-tert-butyl-1-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]benzimidazole?
The canonical SMILES for 2-tert-butyl-1-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]benzimidazole is Cc1cc(N2CC(n3c(C(C)(C)C)nc4ccccc43)C2)ncn1.
What is the InChIKey of 2-tert-butyl-1-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]benzimidazole?
The InChIKey is STVOXEDVOPKLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-13-9-17(21-12-20-13)23-10-14(11-23)24-16-8-6-5-7-15(16)22-18(24)19(2,3)4/h5-9,12,14H,10-11H2,1-4H3.
What are the key properties of 2-tert-butyl-1-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]benzimidazole?
2-tert-butyl-1-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]benzimidazole has a molecular weight of 321.43 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]benzimidazole is sourced from PubChem (CID 154575917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).