1-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-4-yl]-N-methylmethanamine

C15H19N3O — CID 106718319

IUPAC1-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CC2OCCc3ccccc32)cn1
InChIInChI=1S/C15H19N3O/c1-16-8-13-9-18(11-17-13)10-15-14-5-3-2-4-12(14)6-7-19-15/h2-5,9,11,15-16H,6-8,10H2,1H3
InChIKeyPKEWZZXITBGQQB-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.92
Rot. Bonds4

About 1-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-4-yl]-N-methylmethanamine

1-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-4-yl]-N-methylmethanamine (PubChem CID 106718319) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-4-yl]-N-methylmethanamine
PubChem CID106718319
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CC2OCCc3ccccc32)cn1
InChIInChI=1S/C15H19N3O/c1-16-8-13-9-18(11-17-13)10-15-14-5-3-2-4-12(14)6-7-19-15/h2-5,9,11,15-16H,6-8,10H2,1H3
InChIKeyPKEWZZXITBGQQB-UHFFFAOYSA-N
XLogP1.92
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-4-yl]-N-methylmethanamine (CID 106718319) is 1-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-4-yl]-N-methylmethanamine is CNCc1cn(CC2OCCc3ccccc32)cn1.
What is the InChIKey of 1-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-4-yl]-N-methylmethanamine?
The InChIKey is PKEWZZXITBGQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-16-8-13-9-18(11-17-13)10-15-14-5-3-2-4-12(14)6-7-19-15/h2-5,9,11,15-16H,6-8,10H2,1H3.
What are the key properties of 1-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-4-yl]-N-methylmethanamine?
1-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-4-yl]-N-methylmethanamine has a molecular weight of 257.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 106718319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).