2-(2-methylazetidin-2-yl)-1H-benzimidazole

C11H13N3 — CID 141153075

IUPAC2-(2-methylazetidin-2-yl)-1H-benzimidazole
SMILESCC1(c2nc3ccccc3[nH]2)CCN1
InChIInChI=1S/C11H13N3/c1-11(6-7-12-11)10-13-8-4-2-3-5-9(8)14-10/h2-5,12H,6-7H2,1H3,(H,13,14)
InChIKeyOYKSHJDBHPZFQG-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.77
Rot. Bonds1

About 2-(2-methylazetidin-2-yl)-1H-benzimidazole

2-(2-methylazetidin-2-yl)-1H-benzimidazole (PubChem CID 141153075) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-(2-methylazetidin-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-methylazetidin-2-yl)-1H-benzimidazole
PubChem CID141153075
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-(2-methylazetidin-2-yl)-1H-benzimidazole
SMILESCC1(c2nc3ccccc3[nH]2)CCN1
InChIInChI=1S/C11H13N3/c1-11(6-7-12-11)10-13-8-4-2-3-5-9(8)14-10/h2-5,12H,6-7H2,1H3,(H,13,14)
InChIKeyOYKSHJDBHPZFQG-UHFFFAOYSA-N
XLogP1.77
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-methyl-2-(2-methylpiperidin-2-yl)-1H-benzimidazole
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1-(1H-benzimidazol-2-yl)cyclopropane-1-carboxamide
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[1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine
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2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide;dihydrochloride
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2-methyl-1H-benzimidazole
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1H-benzimidazole-2-thiolate;ethane;zinc
CID 159834857
2-methylsulfanyloxy-1H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylazetidin-2-yl)-1H-benzimidazole?
The IUPAC name of 2-(2-methylazetidin-2-yl)-1H-benzimidazole (CID 141153075) is 2-(2-methylazetidin-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-methylazetidin-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-(2-methylazetidin-2-yl)-1H-benzimidazole is CC1(c2nc3ccccc3[nH]2)CCN1.
What is the InChIKey of 2-(2-methylazetidin-2-yl)-1H-benzimidazole?
The InChIKey is OYKSHJDBHPZFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-11(6-7-12-11)10-13-8-4-2-3-5-9(8)14-10/h2-5,12H,6-7H2,1H3,(H,13,14).
What are the key properties of 2-(2-methylazetidin-2-yl)-1H-benzimidazole?
2-(2-methylazetidin-2-yl)-1H-benzimidazole has a molecular weight of 187.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylazetidin-2-yl)-1H-benzimidazole is sourced from PubChem (CID 141153075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).