4-(azetidin-3-ylmethoxy)-1,2-dimethylbenzimidazole

C13H17N3O — CID 84694725

IUPAC4-(azetidin-3-ylmethoxy)-1,2-dimethylbenzimidazole
SMILESCc1nc2c(OCC3CNC3)cccc2n1C
InChIInChI=1S/C13H17N3O/c1-9-15-13-11(16(9)2)4-3-5-12(13)17-8-10-6-14-7-10/h3-5,10,14H,6-8H2,1-2H3
InChIKeyCAGWAHKDIKTWJK-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.48
Rot. Bonds3

About 4-(azetidin-3-ylmethoxy)-1,2-dimethylbenzimidazole

4-(azetidin-3-ylmethoxy)-1,2-dimethylbenzimidazole (PubChem CID 84694725) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(azetidin-3-ylmethoxy)-1,2-dimethylbenzimidazole.

Molecular Properties

Compound Name4-(azetidin-3-ylmethoxy)-1,2-dimethylbenzimidazole
PubChem CID84694725
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-(azetidin-3-ylmethoxy)-1,2-dimethylbenzimidazole
SMILESCc1nc2c(OCC3CNC3)cccc2n1C
InChIInChI=1S/C13H17N3O/c1-9-15-13-11(16(9)2)4-3-5-12(13)17-8-10-6-14-7-10/h3-5,10,14H,6-8H2,1-2H3
InChIKeyCAGWAHKDIKTWJK-UHFFFAOYSA-N
XLogP1.48
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dimethyl-4-(piperidin-4-ylmethyl)benzimidazole
CID 117360773
4-[(4-fluoro-2,6-dimethylphenyl)methoxy]-1,2-dimethylbenzimidazole
CID 18414681
3-[(2-phenylmethoxyphenoxy)methyl]azetidine
CID 164512457
3-[(2-tert-butylphenoxy)methyl]azetidine
CID 59577199
4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole
CID 115075810
2-(azetidin-3-ylmethoxy)benzonitrile
CID 67355381
4-(azetidin-3-ylmethoxy)-1,2-benzoxazole
CID 84672187
8-(piperidin-3-ylmethoxy)quinoline;dihydrochloride
CID 66523926
4-(pyrrolidin-3-ylmethoxy)-2H-benzotriazole
CID 84683758
3-methyl-6-[(1-methylpiperidin-4-yl)methoxy]pyrrolo[1,2-a]quinoxaline
CID 70069298
3-[(5-chloro-2-methylphenoxy)methyl]azetidine
CID 126979014
2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole
CID 141096815

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylmethoxy)-1,2-dimethylbenzimidazole?
The IUPAC name of 4-(azetidin-3-ylmethoxy)-1,2-dimethylbenzimidazole (CID 84694725) is 4-(azetidin-3-ylmethoxy)-1,2-dimethylbenzimidazole.
What is the SMILES notation for 4-(azetidin-3-ylmethoxy)-1,2-dimethylbenzimidazole?
The canonical SMILES for 4-(azetidin-3-ylmethoxy)-1,2-dimethylbenzimidazole is Cc1nc2c(OCC3CNC3)cccc2n1C.
What is the InChIKey of 4-(azetidin-3-ylmethoxy)-1,2-dimethylbenzimidazole?
The InChIKey is CAGWAHKDIKTWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-15-13-11(16(9)2)4-3-5-12(13)17-8-10-6-14-7-10/h3-5,10,14H,6-8H2,1-2H3.
What are the key properties of 4-(azetidin-3-ylmethoxy)-1,2-dimethylbenzimidazole?
4-(azetidin-3-ylmethoxy)-1,2-dimethylbenzimidazole has a molecular weight of 231.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylmethoxy)-1,2-dimethylbenzimidazole is sourced from PubChem (CID 84694725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).