2-tert-butyl-1-(1-pyrimidin-2-ylazetidin-3-yl)benzimidazole

C18H21N5 — CID 146074608

IUPAC2-tert-butyl-1-(1-pyrimidin-2-ylazetidin-3-yl)benzimidazole
SMILESCC(C)(C)c1nc2ccccc2n1C1CN(c2ncccn2)C1
InChIInChI=1S/C18H21N5/c1-18(2,3)16-21-14-7-4-5-8-15(14)23(16)13-11-22(12-13)17-19-9-6-10-20-17/h4-10,13H,11-12H2,1-3H3
InChIKeyUSCHLYSTRUQDDZ-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.19
Rot. Bonds2

About 2-tert-butyl-1-(1-pyrimidin-2-ylazetidin-3-yl)benzimidazole

2-tert-butyl-1-(1-pyrimidin-2-ylazetidin-3-yl)benzimidazole (PubChem CID 146074608) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-tert-butyl-1-(1-pyrimidin-2-ylazetidin-3-yl)benzimidazole.

Molecular Properties

Compound Name2-tert-butyl-1-(1-pyrimidin-2-ylazetidin-3-yl)benzimidazole
PubChem CID146074608
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-tert-butyl-1-(1-pyrimidin-2-ylazetidin-3-yl)benzimidazole
SMILESCC(C)(C)c1nc2ccccc2n1C1CN(c2ncccn2)C1
InChIInChI=1S/C18H21N5/c1-18(2,3)16-21-14-7-4-5-8-15(14)23(16)13-11-22(12-13)17-19-9-6-10-20-17/h4-10,13H,11-12H2,1-3H3
InChIKeyUSCHLYSTRUQDDZ-UHFFFAOYSA-N
XLogP3.19
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(1-pyrimidin-2-ylazetidin-3-yl)benzimidazole?
The IUPAC name of 2-tert-butyl-1-(1-pyrimidin-2-ylazetidin-3-yl)benzimidazole (CID 146074608) is 2-tert-butyl-1-(1-pyrimidin-2-ylazetidin-3-yl)benzimidazole.
What is the SMILES notation for 2-tert-butyl-1-(1-pyrimidin-2-ylazetidin-3-yl)benzimidazole?
The canonical SMILES for 2-tert-butyl-1-(1-pyrimidin-2-ylazetidin-3-yl)benzimidazole is CC(C)(C)c1nc2ccccc2n1C1CN(c2ncccn2)C1.
What is the InChIKey of 2-tert-butyl-1-(1-pyrimidin-2-ylazetidin-3-yl)benzimidazole?
The InChIKey is USCHLYSTRUQDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-18(2,3)16-21-14-7-4-5-8-15(14)23(16)13-11-22(12-13)17-19-9-6-10-20-17/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(1-pyrimidin-2-ylazetidin-3-yl)benzimidazole?
2-tert-butyl-1-(1-pyrimidin-2-ylazetidin-3-yl)benzimidazole has a molecular weight of 307.40 g/mol, XLogP of 3.19, 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-pyrimidin-2-ylazetidin-3-yl)benzimidazole is sourced from PubChem (CID 146074608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).