1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole

C15H21N3 — CID 107391401

IUPAC1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1CCC1CNC1
InChIInChI=1S/C15H21N3/c1-2-5-15-17-13-6-3-4-7-14(13)18(15)9-8-12-10-16-11-12/h3-4,6-7,12,16H,2,5,8-11H2,1H3
InChIKeyPCZVGLQIHYCPOE-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.60
Rot. Bonds5

About 1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole

1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole (PubChem CID 107391401) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole
PubChem CID107391401
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1CCC1CNC1
InChIInChI=1S/C15H21N3/c1-2-5-15-17-13-6-3-4-7-14(13)18(15)9-8-12-10-16-11-12/h3-4,6-7,12,16H,2,5,8-11H2,1H3
InChIKeyPCZVGLQIHYCPOE-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidin-4-ylmethyl)-2-propylbenzimidazole
CID 82149668
1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole
CID 116626992
2-[2-(2-propylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine
CID 115970712
2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole
CID 115970770
3-(2-propylbenzimidazol-1-yl)propanenitrile
CID 15259068
1-(3-methylbut-3-enyl)-2-propylbenzimidazole
CID 114476798
N-[2-(2-propylbenzimidazol-1-yl)ethyl]cyclopentanamine
CID 115971115
1-ethyl-2-[(5-methylpiperidin-3-yl)methyl]benzimidazole
CID 106780313
2-(ethylamino)-2-methyl-4-(2-propylbenzimidazol-1-yl)butan-1-ol
CID 115971235
1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
CID 116626944
2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole
CID 116626955
1-pent-4-ynyl-2-propylbenzimidazole
CID 113374435

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole?
The IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole (CID 107391401) is 1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole.
What is the SMILES notation for 1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole?
The canonical SMILES for 1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole is CCCc1nc2ccccc2n1CCC1CNC1.
What is the InChIKey of 1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole?
The InChIKey is PCZVGLQIHYCPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-5-15-17-13-6-3-4-7-14(13)18(15)9-8-12-10-16-11-12/h3-4,6-7,12,16H,2,5,8-11H2,1H3.
What are the key properties of 1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole?
1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole has a molecular weight of 243.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole is sourced from PubChem (CID 107391401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).