1-(azetidin-3-yl)-2-methyl-6-propan-2-ylbenzimidazole

C14H19N3 — CID 134492323

IUPAC1-(azetidin-3-yl)-2-methyl-6-propan-2-ylbenzimidazole
SMILESCc1nc2ccc(C(C)C)cc2n1C1CNC1
InChIInChI=1S/C14H19N3/c1-9(2)11-4-5-13-14(6-11)17(10(3)16-13)12-7-15-8-12/h4-6,9,12,15H,7-8H2,1-3H3
InChIKeyMGPSPHCQSTUURS-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.61
Rot. Bonds2

About 1-(azetidin-3-yl)-2-methyl-6-propan-2-ylbenzimidazole

1-(azetidin-3-yl)-2-methyl-6-propan-2-ylbenzimidazole (PubChem CID 134492323) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-2-methyl-6-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name1-(azetidin-3-yl)-2-methyl-6-propan-2-ylbenzimidazole
PubChem CID134492323
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-(azetidin-3-yl)-2-methyl-6-propan-2-ylbenzimidazole
SMILESCc1nc2ccc(C(C)C)cc2n1C1CNC1
InChIInChI=1S/C14H19N3/c1-9(2)11-4-5-13-14(6-11)17(10(3)16-13)12-7-15-8-12/h4-6,9,12,15H,7-8H2,1-3H3
InChIKeyMGPSPHCQSTUURS-UHFFFAOYSA-N
XLogP2.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-2-methyl-6-propan-2-ylbenzimidazole?
The IUPAC name of 1-(azetidin-3-yl)-2-methyl-6-propan-2-ylbenzimidazole (CID 134492323) is 1-(azetidin-3-yl)-2-methyl-6-propan-2-ylbenzimidazole.
What is the SMILES notation for 1-(azetidin-3-yl)-2-methyl-6-propan-2-ylbenzimidazole?
The canonical SMILES for 1-(azetidin-3-yl)-2-methyl-6-propan-2-ylbenzimidazole is Cc1nc2ccc(C(C)C)cc2n1C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-2-methyl-6-propan-2-ylbenzimidazole?
The InChIKey is MGPSPHCQSTUURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-9(2)11-4-5-13-14(6-11)17(10(3)16-13)12-7-15-8-12/h4-6,9,12,15H,7-8H2,1-3H3.
What are the key properties of 1-(azetidin-3-yl)-2-methyl-6-propan-2-ylbenzimidazole?
1-(azetidin-3-yl)-2-methyl-6-propan-2-ylbenzimidazole has a molecular weight of 229.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-2-methyl-6-propan-2-ylbenzimidazole is sourced from PubChem (CID 134492323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).