azetidin-1-yl-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]methanone

C13H13F2N3O — CID 166179148

IUPACazetidin-1-yl-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]methanone
SMILESCn1c(C(F)F)nc2cc(C(=O)N3CCC3)ccc21
InChIInChI=1S/C13H13F2N3O/c1-17-10-4-3-8(13(19)18-5-2-6-18)7-9(10)16-12(17)11(14)15/h3-4,7,11H,2,5-6H2,1H3
InChIKeyXFBWLHWRJUSSRQ-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.36
Rot. Bonds2

About azetidin-1-yl-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]methanone

azetidin-1-yl-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]methanone (PubChem CID 166179148) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is azetidin-1-yl-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]methanone
PubChem CID166179148
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Nameazetidin-1-yl-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]methanone
SMILESCn1c(C(F)F)nc2cc(C(=O)N3CCC3)ccc21
InChIInChI=1S/C13H13F2N3O/c1-17-10-4-3-8(13(19)18-5-2-6-18)7-9(10)16-12(17)11(14)15/h3-4,7,11H,2,5-6H2,1H3
InChIKeyXFBWLHWRJUSSRQ-UHFFFAOYSA-N
XLogP2.36
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 136581636
[4-[2-(difluoromethyl)-1-methylbenzimidazole-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 136540005
1-[4-(1-methyl-2-propan-2-ylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805835
(4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone
CID 110765962
[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 110802064
2-(difluoromethyl)-1-methyl-N-(2,4,6-trimethyl-3-pyridinyl)benzimidazole-5-carboxamide
CID 100682484
(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone
CID 72940609
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110773304
2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole
CID 176703273
(4-tert-butylphenyl)-[4-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]piperazin-1-yl]methanone
CID 50822440
2-ethyl-1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110807659

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]methanone?
The IUPAC name of azetidin-1-yl-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]methanone (CID 166179148) is azetidin-1-yl-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]methanone?
The canonical SMILES for azetidin-1-yl-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]methanone is Cn1c(C(F)F)nc2cc(C(=O)N3CCC3)ccc21.
What is the InChIKey of azetidin-1-yl-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]methanone?
The InChIKey is XFBWLHWRJUSSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-17-10-4-3-8(13(19)18-5-2-6-18)7-9(10)16-12(17)11(14)15/h3-4,7,11H,2,5-6H2,1H3.
What are the key properties of azetidin-1-yl-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]methanone?
azetidin-1-yl-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]methanone has a molecular weight of 265.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]methanone is sourced from PubChem (CID 166179148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).