5-methoxy-N-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine

C15H23N3O — CID 79751232

IUPAC5-methoxy-N-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
SMILESCNC(CCCOC)Cc1nc2ccccc2n1C
InChIInChI=1S/C15H23N3O/c1-16-12(7-6-10-19-3)11-15-17-13-8-4-5-9-14(13)18(15)2/h4-5,8-9,12,16H,6-7,10-11H2,1-3H3
InChIKeyUFRPWNNJGQRHIV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.13
Rot. Bonds7

About 5-methoxy-N-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine

5-methoxy-N-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine (PubChem CID 79751232) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-methoxy-N-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
PubChem CID79751232
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-methoxy-N-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
SMILESCNC(CCCOC)Cc1nc2ccccc2n1C
InChIInChI=1S/C15H23N3O/c1-16-12(7-6-10-19-3)11-15-17-13-8-4-5-9-14(13)18(15)2/h4-5,8-9,12,16H,6-7,10-11H2,1-3H3
InChIKeyUFRPWNNJGQRHIV-UHFFFAOYSA-N
XLogP2.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.13
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

N-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-amine
CID 105007516
N,5-dimethyl-1-(1-methylbenzimidazol-2-yl)hexan-2-amine
CID 79750546
N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79754110
N,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79750625
1-(1-methylbenzimidazol-2-yl)-N-propan-2-ylhexan-2-amine
CID 79750942
1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79750661
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-4-ylethanamine
CID 79750104
3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116721301
1-(3-methoxypropyl)-2-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine
CID 110975947
1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine
CID 79754187
[1-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105212470
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The IUPAC name of 5-methoxy-N-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine (CID 79751232) is 5-methoxy-N-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine.
What is the SMILES notation for 5-methoxy-N-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The canonical SMILES for 5-methoxy-N-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine is CNC(CCCOC)Cc1nc2ccccc2n1C.
What is the InChIKey of 5-methoxy-N-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
The InChIKey is UFRPWNNJGQRHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-16-12(7-6-10-19-3)11-15-17-13-8-4-5-9-14(13)18(15)2/h4-5,8-9,12,16H,6-7,10-11H2,1-3H3.
What are the key properties of 5-methoxy-N-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine?
5-methoxy-N-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine is sourced from PubChem (CID 79751232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).