2-(azetidin-3-ylmethyl)-6-fluoro-1-propylbenzimidazole

C14H18FN3 — CID 64611043

IUPAC2-(azetidin-3-ylmethyl)-6-fluoro-1-propylbenzimidazole
SMILESCCCn1c(CC2CNC2)nc2ccc(F)cc21
InChIInChI=1S/C14H18FN3/c1-2-5-18-13-7-11(15)3-4-12(13)17-14(18)6-10-8-16-9-10/h3-4,7,10,16H,2,5-6,8-9H2,1H3
InChIKeyKAGJYJSLPWFAPU-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.35
Rot. Bonds4

About 2-(azetidin-3-ylmethyl)-6-fluoro-1-propylbenzimidazole

2-(azetidin-3-ylmethyl)-6-fluoro-1-propylbenzimidazole (PubChem CID 64611043) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-6-fluoro-1-propylbenzimidazole.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-6-fluoro-1-propylbenzimidazole
PubChem CID64611043
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name2-(azetidin-3-ylmethyl)-6-fluoro-1-propylbenzimidazole
SMILESCCCn1c(CC2CNC2)nc2ccc(F)cc21
InChIInChI=1S/C14H18FN3/c1-2-5-18-13-7-11(15)3-4-12(13)17-14(18)6-10-8-16-9-10/h3-4,7,10,16H,2,5-6,8-9H2,1H3
InChIKeyKAGJYJSLPWFAPU-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole
CID 62689624
1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689623
2-(chloromethyl)-6-fluoro-1-propylbenzimidazole
CID 62378241
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 62378276
2,2,2-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 79258311
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide
CID 18734035
6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84796143
6-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole
CID 106742811
5-chloro-2-(piperidin-4-ylmethyl)-1-propylbenzimidazole
CID 79615143
[1-(6-fluoro-1-propylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 115450574
2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole
CID 63772335
1-ethyl-2-[(5-methylpiperidin-3-yl)methyl]benzimidazole
CID 106780313

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-6-fluoro-1-propylbenzimidazole?
The IUPAC name of 2-(azetidin-3-ylmethyl)-6-fluoro-1-propylbenzimidazole (CID 64611043) is 2-(azetidin-3-ylmethyl)-6-fluoro-1-propylbenzimidazole.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-6-fluoro-1-propylbenzimidazole?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-6-fluoro-1-propylbenzimidazole is CCCn1c(CC2CNC2)nc2ccc(F)cc21.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-6-fluoro-1-propylbenzimidazole?
The InChIKey is KAGJYJSLPWFAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-2-5-18-13-7-11(15)3-4-12(13)17-14(18)6-10-8-16-9-10/h3-4,7,10,16H,2,5-6,8-9H2,1H3.
What are the key properties of 2-(azetidin-3-ylmethyl)-6-fluoro-1-propylbenzimidazole?
2-(azetidin-3-ylmethyl)-6-fluoro-1-propylbenzimidazole has a molecular weight of 247.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-6-fluoro-1-propylbenzimidazole is sourced from PubChem (CID 64611043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).