N-[(2-isoquinolin-1-yl-1H-imidazol-5-yl)methyl]cyclopropanamine

C16H16N4 — CID 63948467

IUPACN-[(2-isoquinolin-1-yl-1H-imidazol-5-yl)methyl]cyclopropanamine
SMILESc1ccc2c(-c3ncc(CNC4CC4)[nH]3)nccc2c1
InChIInChI=1S/C16H16N4/c1-2-4-14-11(3-1)7-8-17-15(14)16-19-10-13(20-16)9-18-12-5-6-12/h1-4,7-8,10,12,18H,5-6,9H2,(H,19,20)
InChIKeyGEFKFOQTEAJEBX-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.88
Rot. Bonds4

About N-[(2-isoquinolin-1-yl-1H-imidazol-5-yl)methyl]cyclopropanamine

N-[(2-isoquinolin-1-yl-1H-imidazol-5-yl)methyl]cyclopropanamine (PubChem CID 63948467) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(2-isoquinolin-1-yl-1H-imidazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-isoquinolin-1-yl-1H-imidazol-5-yl)methyl]cyclopropanamine
PubChem CID63948467
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-[(2-isoquinolin-1-yl-1H-imidazol-5-yl)methyl]cyclopropanamine
SMILESc1ccc2c(-c3ncc(CNC4CC4)[nH]3)nccc2c1
InChIInChI=1S/C16H16N4/c1-2-4-14-11(3-1)7-8-17-15(14)16-19-10-13(20-16)9-18-12-5-6-12/h1-4,7-8,10,12,18H,5-6,9H2,(H,19,20)
InChIKeyGEFKFOQTEAJEBX-UHFFFAOYSA-N
XLogP2.88
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-isoquinolin-1-yl-1H-imidazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-isoquinolin-1-yl-1H-imidazol-5-yl)methyl]cyclopropanamine (CID 63948467) is N-[(2-isoquinolin-1-yl-1H-imidazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-isoquinolin-1-yl-1H-imidazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-isoquinolin-1-yl-1H-imidazol-5-yl)methyl]cyclopropanamine is c1ccc2c(-c3ncc(CNC4CC4)[nH]3)nccc2c1.
What is the InChIKey of N-[(2-isoquinolin-1-yl-1H-imidazol-5-yl)methyl]cyclopropanamine?
The InChIKey is GEFKFOQTEAJEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-4-14-11(3-1)7-8-17-15(14)16-19-10-13(20-16)9-18-12-5-6-12/h1-4,7-8,10,12,18H,5-6,9H2,(H,19,20).
What are the key properties of N-[(2-isoquinolin-1-yl-1H-imidazol-5-yl)methyl]cyclopropanamine?
N-[(2-isoquinolin-1-yl-1H-imidazol-5-yl)methyl]cyclopropanamine has a molecular weight of 264.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-isoquinolin-1-yl-1H-imidazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 63948467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).