2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole

C12H13F2N3 — CID 122270125

IUPAC2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole
SMILESCn1c(N2CC(C(F)F)C2)nc2ccccc21
InChIInChI=1S/C12H13F2N3/c1-16-10-5-3-2-4-9(10)15-12(16)17-6-8(7-17)11(13)14/h2-5,8,11H,6-7H2,1H3
InChIKeyCSQNQVSLHHNTSG-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.27
Rot. Bonds2

About 2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole

2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole (PubChem CID 122270125) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole
PubChem CID122270125
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole
SMILESCn1c(N2CC(C(F)F)C2)nc2ccccc21
InChIInChI=1S/C12H13F2N3/c1-16-10-5-3-2-4-9(10)15-12(16)17-6-8(7-17)11(13)14/h2-5,8,11H,6-7H2,1H3
InChIKeyCSQNQVSLHHNTSG-UHFFFAOYSA-N
XLogP2.27
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[5-(2-methylpropylsulfonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]benzimidazole
CID 154581406
2-[3-(difluoromethyl)azetidin-1-yl]quinoline
CID 171326611
1-methyl-2-[3-(triazol-1-yl)azetidin-1-yl]benzimidazole
CID 121183826
1-methyl-2-[(3S)-3-propan-2-ylpiperazin-1-yl]benzimidazole
CID 129391666
1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole
CID 126893862
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole
CID 22636344
(3,3-difluorocyclobutyl)-[2-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 154581342
cyclopent-3-en-1-yl-[2-(1-methylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 154830679
2-[6-[(3-fluorophenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1-methylbenzimidazole
CID 175651571
1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714699
2-(3,3-dimethylpiperazin-1-yl)-1-methylbenzimidazole
CID 82993712
2-[5-(2-methoxyphenyl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-methylbenzimidazole
CID 154581614

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole?
The IUPAC name of 2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole (CID 122270125) is 2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole?
The canonical SMILES for 2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole is Cn1c(N2CC(C(F)F)C2)nc2ccccc21.
What is the InChIKey of 2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole?
The InChIKey is CSQNQVSLHHNTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-16-10-5-3-2-4-9(10)15-12(16)17-6-8(7-17)11(13)14/h2-5,8,11H,6-7H2,1H3.
What are the key properties of 2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole?
2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole has a molecular weight of 237.25 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole is sourced from PubChem (CID 122270125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).