N-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine

C17H25N3O — CID 79757032

IUPACN-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
SMILESCCCn1c(CC(NC)C2CCOC2)nc2ccccc21
InChIInChI=1S/C17H25N3O/c1-3-9-20-16-7-5-4-6-14(16)19-17(20)11-15(18-2)13-8-10-21-12-13/h4-7,13,15,18H,3,8-12H2,1-2H3
InChIKeyGNHSYOXOZNCOBT-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.61
Rot. Bonds6

About N-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine

N-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine (PubChem CID 79757032) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
PubChem CID79757032
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
SMILESCCCn1c(CC(NC)C2CCOC2)nc2ccccc21
InChIInChI=1S/C17H25N3O/c1-3-9-20-16-7-5-4-6-14(16)19-17(20)11-15(18-2)13-8-10-21-12-13/h4-7,13,15,18H,3,8-12H2,1-2H3
InChIKeyGNHSYOXOZNCOBT-UHFFFAOYSA-N
XLogP2.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757035
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine
CID 79750551
1-(1,4-dioxan-2-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 115824368
1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987126
N-ethyl-2-(2-methylbenzimidazol-1-yl)-1-(oxolan-3-yl)ethanamine
CID 104747178
1-cyclopropyl-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79754023
[2-(1-propylbenzimidazol-2-yl)-1-(thiolan-3-yl)ethyl]hydrazine
CID 105320892
2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753249
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
N,3-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
CID 79751005
1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 103170121
1-(1,4-dioxan-2-yl)-N-ethyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 115824369

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine (CID 79757032) is N-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine is CCCn1c(CC(NC)C2CCOC2)nc2ccccc21.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine?
The InChIKey is GNHSYOXOZNCOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-9-20-16-7-5-4-6-14(16)19-17(20)11-15(18-2)13-8-10-21-12-13/h4-7,13,15,18H,3,8-12H2,1-2H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine?
N-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine has a molecular weight of 287.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 79757032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).