2-[1-(azetidin-3-yl)ethyl]-5-methoxy-1-propan-2-ylbenzimidazole

C16H23N3O — CID 116682170

IUPAC2-[1-(azetidin-3-yl)ethyl]-5-methoxy-1-propan-2-ylbenzimidazole
SMILESCOc1ccc2c(c1)nc(C(C)C1CNC1)n2C(C)C
InChIInChI=1S/C16H23N3O/c1-10(2)19-15-6-5-13(20-4)7-14(15)18-16(19)11(3)12-8-17-9-12/h5-7,10-12,17H,8-9H2,1-4H3
InChIKeyMJWFBJUKJPUAOO-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.95
Rot. Bonds4

About 2-[1-(azetidin-3-yl)ethyl]-5-methoxy-1-propan-2-ylbenzimidazole

2-[1-(azetidin-3-yl)ethyl]-5-methoxy-1-propan-2-ylbenzimidazole (PubChem CID 116682170) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[1-(azetidin-3-yl)ethyl]-5-methoxy-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name2-[1-(azetidin-3-yl)ethyl]-5-methoxy-1-propan-2-ylbenzimidazole
PubChem CID116682170
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[1-(azetidin-3-yl)ethyl]-5-methoxy-1-propan-2-ylbenzimidazole
SMILESCOc1ccc2c(c1)nc(C(C)C1CNC1)n2C(C)C
InChIInChI=1S/C16H23N3O/c1-10(2)19-15-6-5-13(20-4)7-14(15)18-16(19)11(3)12-8-17-9-12/h5-7,10-12,17H,8-9H2,1-4H3
InChIKeyMJWFBJUKJPUAOO-UHFFFAOYSA-N
XLogP2.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 83858310
2-(difluoromethyl)-5-methoxy-1-methylbenzimidazole
CID 145162362
2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole
CID 116682105
5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine
CID 82847019
[5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine
CID 82334325
5-methoxy-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983270
N-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82334457
2-chloro-5-methoxy-1-methylbenzimidazole
CID 45078585
8-methoxy-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 3061651
3-amino-1-(5-methoxy-1-methylbenzimidazol-2-yl)propan-1-ol
CID 107835458
2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole
CID 82335377
2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54919779

Frequently Asked Questions

What is the IUPAC name of 2-[1-(azetidin-3-yl)ethyl]-5-methoxy-1-propan-2-ylbenzimidazole?
The IUPAC name of 2-[1-(azetidin-3-yl)ethyl]-5-methoxy-1-propan-2-ylbenzimidazole (CID 116682170) is 2-[1-(azetidin-3-yl)ethyl]-5-methoxy-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 2-[1-(azetidin-3-yl)ethyl]-5-methoxy-1-propan-2-ylbenzimidazole?
The canonical SMILES for 2-[1-(azetidin-3-yl)ethyl]-5-methoxy-1-propan-2-ylbenzimidazole is COc1ccc2c(c1)nc(C(C)C1CNC1)n2C(C)C.
What is the InChIKey of 2-[1-(azetidin-3-yl)ethyl]-5-methoxy-1-propan-2-ylbenzimidazole?
The InChIKey is MJWFBJUKJPUAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10(2)19-15-6-5-13(20-4)7-14(15)18-16(19)11(3)12-8-17-9-12/h5-7,10-12,17H,8-9H2,1-4H3.
What are the key properties of 2-[1-(azetidin-3-yl)ethyl]-5-methoxy-1-propan-2-ylbenzimidazole?
2-[1-(azetidin-3-yl)ethyl]-5-methoxy-1-propan-2-ylbenzimidazole has a molecular weight of 273.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azetidin-3-yl)ethyl]-5-methoxy-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 116682170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).