1-(2-aminoethoxy)-3-(1-propylbenzimidazol-2-yl)propan-2-one

C15H21N3O2 — CID 116591103

IUPAC1-(2-aminoethoxy)-3-(1-propylbenzimidazol-2-yl)propan-2-one
SMILESCCCn1c(CC(=O)COCCN)nc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-2-8-18-14-6-4-3-5-13(14)17-15(18)10-12(19)11-20-9-7-16/h3-6H,2,7-11,16H2,1H3
InChIKeyUOCBNIQXKSDKBD-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.53
Rot. Bonds8

About 1-(2-aminoethoxy)-3-(1-propylbenzimidazol-2-yl)propan-2-one

1-(2-aminoethoxy)-3-(1-propylbenzimidazol-2-yl)propan-2-one (PubChem CID 116591103) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2-aminoethoxy)-3-(1-propylbenzimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-aminoethoxy)-3-(1-propylbenzimidazol-2-yl)propan-2-one
PubChem CID116591103
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(2-aminoethoxy)-3-(1-propylbenzimidazol-2-yl)propan-2-one
SMILESCCCn1c(CC(=O)COCCN)nc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-2-8-18-14-6-4-3-5-13(14)17-15(18)10-12(19)11-20-9-7-16/h3-6H,2,7-11,16H2,1H3
InChIKeyUOCBNIQXKSDKBD-UHFFFAOYSA-N
XLogP1.53
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one
CID 116550850
6-amino-1-(1-propylbenzimidazol-2-yl)hexan-2-one
CID 116572144
7-amino-1-(1-propylbenzimidazol-2-yl)heptan-2-one
CID 116550162
4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 79754432
5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 116595070
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79754349
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 103453160
3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one
CID 115781923
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethoxy)-3-(1-propylbenzimidazol-2-yl)propan-2-one?
The IUPAC name of 1-(2-aminoethoxy)-3-(1-propylbenzimidazol-2-yl)propan-2-one (CID 116591103) is 1-(2-aminoethoxy)-3-(1-propylbenzimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(2-aminoethoxy)-3-(1-propylbenzimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-(2-aminoethoxy)-3-(1-propylbenzimidazol-2-yl)propan-2-one is CCCn1c(CC(=O)COCCN)nc2ccccc21.
What is the InChIKey of 1-(2-aminoethoxy)-3-(1-propylbenzimidazol-2-yl)propan-2-one?
The InChIKey is UOCBNIQXKSDKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-8-18-14-6-4-3-5-13(14)17-15(18)10-12(19)11-20-9-7-16/h3-6H,2,7-11,16H2,1H3.
What are the key properties of 1-(2-aminoethoxy)-3-(1-propylbenzimidazol-2-yl)propan-2-one?
1-(2-aminoethoxy)-3-(1-propylbenzimidazol-2-yl)propan-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethoxy)-3-(1-propylbenzimidazol-2-yl)propan-2-one is sourced from PubChem (CID 116591103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).