(6-fluoro-1H-benzimidazol-4-yl)-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone

C15H15FN6O2 — CID 167915847

IUPAC(6-fluoro-1H-benzimidazol-4-yl)-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone
SMILESCC(O)c1cn(C2CN(C(=O)c3cc(F)cc4[nH]cnc34)C2)nn1
InChIInChI=1S/C15H15FN6O2/c1-8(23)13-6-22(20-19-13)10-4-21(5-10)15(24)11-2-9(16)3-12-14(11)18-7-17-12/h2-3,6-8,10,23H,4-5H2,1H3,(H,17,18)
InChIKeyXACBIANGYBIDOJ-UHFFFAOYSA-N
MW330.32 g/mol
LogP1.04
Rot. Bonds3

About (6-fluoro-1H-benzimidazol-4-yl)-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone

(6-fluoro-1H-benzimidazol-4-yl)-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone (PubChem CID 167915847) has the molecular formula C15H15FN6O2 and a molecular weight of 330.32 g/mol. Its IUPAC name is (6-fluoro-1H-benzimidazol-4-yl)-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-1H-benzimidazol-4-yl)-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone
PubChem CID167915847
Molecular FormulaC15H15FN6O2
Molecular Weight330.32 g/mol
Exact Mass330.12
IUPAC Name(6-fluoro-1H-benzimidazol-4-yl)-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone
SMILESCC(O)c1cn(C2CN(C(=O)c3cc(F)cc4[nH]cnc34)C2)nn1
InChIInChI=1S/C15H15FN6O2/c1-8(23)13-6-22(20-19-13)10-4-21(5-10)15(24)11-2-9(16)3-12-14(11)18-7-17-12/h2-3,6-8,10,23H,4-5H2,1H3,(H,17,18)
InChIKeyXACBIANGYBIDOJ-UHFFFAOYSA-N
XLogP1.04
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,4S)-1-(6-fluoro-1H-benzimidazole-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120953397
(6-fluoro-1H-benzimidazol-4-yl)-(3-methylpiperazin-1-yl)methanone
CID 119576176
[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]-(2-phenylphenyl)methanone
CID 97342668
(4-aminopiperidin-1-yl)-(6-fluoro-1H-benzimidazol-4-yl)methanone
CID 119372809
(6-fluoro-1H-benzimidazol-4-yl)-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone
CID 95345286
(3R,4R)-4-cyclopropyl-1-(6-fluoro-1H-benzimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120979753
(6-fluoro-1H-benzimidazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119542588
(1-benzyl-2,5-dimethylpyrrol-3-yl)-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone
CID 75473495
(6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119394746
3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone
CID 139001613
N-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide
CID 94800244
1-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]-3-(1H-indol-5-yl)propan-1-one
CID 154752193

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-benzimidazol-4-yl)-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone?
The IUPAC name of (6-fluoro-1H-benzimidazol-4-yl)-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone (CID 167915847) is (6-fluoro-1H-benzimidazol-4-yl)-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone.
What is the SMILES notation for (6-fluoro-1H-benzimidazol-4-yl)-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone?
The canonical SMILES for (6-fluoro-1H-benzimidazol-4-yl)-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone is CC(O)c1cn(C2CN(C(=O)c3cc(F)cc4[nH]cnc34)C2)nn1.
What is the InChIKey of (6-fluoro-1H-benzimidazol-4-yl)-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone?
The InChIKey is XACBIANGYBIDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O2/c1-8(23)13-6-22(20-19-13)10-4-21(5-10)15(24)11-2-9(16)3-12-14(11)18-7-17-12/h2-3,6-8,10,23H,4-5H2,1H3,(H,17,18).
What are the key properties of (6-fluoro-1H-benzimidazol-4-yl)-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone?
(6-fluoro-1H-benzimidazol-4-yl)-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone has a molecular weight of 330.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1H-benzimidazol-4-yl)-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 167915847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).