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

C12H14N4 — CID 63108999

IUPACN-[(2-pyridin-2-yl-1H-imidazol-5-yl)methyl]cyclopropanamine
SMILESc1ccc(-c2ncc(CNC3CC3)[nH]2)nc1
InChIInChI=1S/C12H14N4/c1-2-6-13-11(3-1)12-15-8-10(16-12)7-14-9-4-5-9/h1-3,6,8-9,14H,4-5,7H2,(H,15,16)
InChIKeyQULJPIJYXQOEBL-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.72
Rot. Bonds4

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

N-[(2-pyridin-2-yl-1H-imidazol-5-yl)methyl]cyclopropanamine (PubChem CID 63108999) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is N-[(2-pyridin-2-yl-1H-imidazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-pyridin-2-yl-1H-imidazol-5-yl)methyl]cyclopropanamine
PubChem CID63108999
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC NameN-[(2-pyridin-2-yl-1H-imidazol-5-yl)methyl]cyclopropanamine
SMILESc1ccc(-c2ncc(CNC3CC3)[nH]2)nc1
InChIInChI=1S/C12H14N4/c1-2-6-13-11(3-1)12-15-8-10(16-12)7-14-9-4-5-9/h1-3,6,8-9,14H,4-5,7H2,(H,15,16)
InChIKeyQULJPIJYXQOEBL-UHFFFAOYSA-N
XLogP1.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-2-yl-1H-imidazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-pyridin-2-yl-1H-imidazol-5-yl)methyl]cyclopropanamine (CID 63108999) is N-[(2-pyridin-2-yl-1H-imidazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-pyridin-2-yl-1H-imidazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-pyridin-2-yl-1H-imidazol-5-yl)methyl]cyclopropanamine is c1ccc(-c2ncc(CNC3CC3)[nH]2)nc1.
What is the InChIKey of N-[(2-pyridin-2-yl-1H-imidazol-5-yl)methyl]cyclopropanamine?
The InChIKey is QULJPIJYXQOEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-6-13-11(3-1)12-15-8-10(16-12)7-14-9-4-5-9/h1-3,6,8-9,14H,4-5,7H2,(H,15,16).
What are the key properties of N-[(2-pyridin-2-yl-1H-imidazol-5-yl)methyl]cyclopropanamine?
N-[(2-pyridin-2-yl-1H-imidazol-5-yl)methyl]cyclopropanamine has a molecular weight of 214.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-2-yl-1H-imidazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 63108999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).