1-methyl-2-[3-(triazol-1-yl)azetidin-1-yl]benzimidazole

C13H14N6 — CID 121183826

IUPAC1-methyl-2-[3-(triazol-1-yl)azetidin-1-yl]benzimidazole
SMILESCn1c(N2CC(n3ccnn3)C2)nc2ccccc21
InChIInChI=1S/C13H14N6/c1-17-12-5-3-2-4-11(12)15-13(17)18-8-10(9-18)19-7-6-14-16-19/h2-7,10H,8-9H2,1H3
InChIKeyKYMNIOQEGDUILH-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.23
Rot. Bonds2

About 1-methyl-2-[3-(triazol-1-yl)azetidin-1-yl]benzimidazole

1-methyl-2-[3-(triazol-1-yl)azetidin-1-yl]benzimidazole (PubChem CID 121183826) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-methyl-2-[3-(triazol-1-yl)azetidin-1-yl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[3-(triazol-1-yl)azetidin-1-yl]benzimidazole
PubChem CID121183826
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name1-methyl-2-[3-(triazol-1-yl)azetidin-1-yl]benzimidazole
SMILESCn1c(N2CC(n3ccnn3)C2)nc2ccccc21
InChIInChI=1S/C13H14N6/c1-17-12-5-3-2-4-11(12)15-13(17)18-8-10(9-18)19-7-6-14-16-19/h2-7,10H,8-9H2,1H3
InChIKeyKYMNIOQEGDUILH-UHFFFAOYSA-N
XLogP1.23
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-(triazol-1-yl)azetidin-1-yl]benzimidazole?
The IUPAC name of 1-methyl-2-[3-(triazol-1-yl)azetidin-1-yl]benzimidazole (CID 121183826) is 1-methyl-2-[3-(triazol-1-yl)azetidin-1-yl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[3-(triazol-1-yl)azetidin-1-yl]benzimidazole?
The canonical SMILES for 1-methyl-2-[3-(triazol-1-yl)azetidin-1-yl]benzimidazole is Cn1c(N2CC(n3ccnn3)C2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[3-(triazol-1-yl)azetidin-1-yl]benzimidazole?
The InChIKey is KYMNIOQEGDUILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-17-12-5-3-2-4-11(12)15-13(17)18-8-10(9-18)19-7-6-14-16-19/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-methyl-2-[3-(triazol-1-yl)azetidin-1-yl]benzimidazole?
1-methyl-2-[3-(triazol-1-yl)azetidin-1-yl]benzimidazole has a molecular weight of 254.30 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-(triazol-1-yl)azetidin-1-yl]benzimidazole is sourced from PubChem (CID 121183826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).