2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole

C12H14FN3 — CID 116682100

IUPAC2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole
SMILESCC(c1nc2ccc(F)cc2[nH]1)C1CNC1
InChIInChI=1S/C12H14FN3/c1-7(8-5-14-6-8)12-15-10-3-2-9(13)4-11(10)16-12/h2-4,7-8,14H,5-6H2,1H3,(H,15,16)
InChIKeyPBNRMOLQARIKND-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.02
Rot. Bonds2

About 2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole

2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole (PubChem CID 116682100) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole
PubChem CID116682100
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole
SMILESCC(c1nc2ccc(F)cc2[nH]1)C1CNC1
InChIInChI=1S/C12H14FN3/c1-7(8-5-14-6-8)12-15-10-3-2-9(13)4-11(10)16-12/h2-4,7-8,14H,5-6H2,1H3,(H,15,16)
InChIKeyPBNRMOLQARIKND-UHFFFAOYSA-N
XLogP2.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
CID 17010542
(1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 6927588
2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1,3-benzothiazole
CID 116682411
(1R,2R,3R,4R)-1-(6-fluoro-1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol
CID 118128954
6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103295220
6-bromo-2-(1-cyclopropylethyl)-1H-benzimidazole
CID 83154051
4-[1-(6-fluoro-1H-benzimidazol-2-yl)-2-methylpropyl]morpholine
CID 82336517
2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole
CID 82336282
[2-(1-cyclopropylethyl)-3H-benzimidazol-5-yl]methanamine
CID 83151812
4-[4-[(1S)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 138664417
1-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-N,N-bis(prop-2-enyl)propan-1-amine
CID 82336511
4-[4-[1-(6-cyclopentyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 138664674

Frequently Asked Questions

What is the IUPAC name of 2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole?
The IUPAC name of 2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole (CID 116682100) is 2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole?
The canonical SMILES for 2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole is CC(c1nc2ccc(F)cc2[nH]1)C1CNC1.
What is the InChIKey of 2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole?
The InChIKey is PBNRMOLQARIKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-7(8-5-14-6-8)12-15-10-3-2-9(13)4-11(10)16-12/h2-4,7-8,14H,5-6H2,1H3,(H,15,16).
What are the key properties of 2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole?
2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole has a molecular weight of 219.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 116682100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).