2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine

C17H25N3O — CID 61034574

IUPAC2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
SMILESCCCn1c(CNCCC2CCCO2)nc2ccccc21
InChIInChI=1S/C17H25N3O/c1-2-11-20-16-8-4-3-7-15(16)19-17(20)13-18-10-9-14-6-5-12-21-14/h3-4,7-8,14,18H,2,5-6,9-13H2,1H3
InChIKeyJVHHDYYDNGJUTD-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.11
Rot. Bonds7

About 2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine

2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine (PubChem CID 61034574) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
PubChem CID61034574
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
SMILESCCCn1c(CNCCC2CCCO2)nc2ccccc21
InChIInChI=1S/C17H25N3O/c1-2-11-20-16-8-4-3-7-15(16)19-17(20)13-18-10-9-14-6-5-12-21-14/h3-4,7-8,14,18H,2,5-6,9-13H2,1H3
InChIKeyJVHHDYYDNGJUTD-UHFFFAOYSA-N
XLogP3.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole
CID 116626992
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 93418668
2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine
CID 54906185
2-(1,2,4-oxadiazol-3-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 106396239
N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 103735922
1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 63299001
2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole
CID 79762204
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 61019367
2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole
CID 43149486
N-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine
CID 134084304
2-methyl-2-morpholin-4-yl-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine
CID 119137471

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine (CID 61034574) is 2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine is CCCn1c(CNCCC2CCCO2)nc2ccccc21.
What is the InChIKey of 2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine?
The InChIKey is JVHHDYYDNGJUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-11-20-16-8-4-3-7-15(16)19-17(20)13-18-10-9-14-6-5-12-21-14/h3-4,7-8,14,18H,2,5-6,9-13H2,1H3.
What are the key properties of 2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine?
2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 61034574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).