[5-(7H-cyclopenta[b]pyridin-5-yl)-1H-imidazol-2-yl]methanamine

C12H12N4 — CID 58443086

IUPAC[5-(7H-cyclopenta[b]pyridin-5-yl)-1H-imidazol-2-yl]methanamine
SMILESNCc1ncc(C2=CCc3ncccc32)[nH]1
InChIInChI=1S/C12H12N4/c13-6-12-15-7-11(16-12)9-3-4-10-8(9)2-1-5-14-10/h1-3,5,7H,4,6,13H2,(H,15,16)
InChIKeyIHDOBHUEBWOVTO-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.25
Rot. Bonds2

About [5-(7H-cyclopenta[b]pyridin-5-yl)-1H-imidazol-2-yl]methanamine

[5-(7H-cyclopenta[b]pyridin-5-yl)-1H-imidazol-2-yl]methanamine (PubChem CID 58443086) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is [5-(7H-cyclopenta[b]pyridin-5-yl)-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(7H-cyclopenta[b]pyridin-5-yl)-1H-imidazol-2-yl]methanamine
PubChem CID58443086
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name[5-(7H-cyclopenta[b]pyridin-5-yl)-1H-imidazol-2-yl]methanamine
SMILESNCc1ncc(C2=CCc3ncccc32)[nH]1
InChIInChI=1S/C12H12N4/c13-6-12-15-7-11(16-12)9-3-4-10-8(9)2-1-5-14-10/h1-3,5,7H,4,6,13H2,(H,15,16)
InChIKeyIHDOBHUEBWOVTO-UHFFFAOYSA-N
XLogP1.25
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(7H-cyclopenta[b]pyridin-5-yl)-1H-imidazol-2-yl]methanamine?
The IUPAC name of [5-(7H-cyclopenta[b]pyridin-5-yl)-1H-imidazol-2-yl]methanamine (CID 58443086) is [5-(7H-cyclopenta[b]pyridin-5-yl)-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for [5-(7H-cyclopenta[b]pyridin-5-yl)-1H-imidazol-2-yl]methanamine?
The canonical SMILES for [5-(7H-cyclopenta[b]pyridin-5-yl)-1H-imidazol-2-yl]methanamine is NCc1ncc(C2=CCc3ncccc32)[nH]1.
What is the InChIKey of [5-(7H-cyclopenta[b]pyridin-5-yl)-1H-imidazol-2-yl]methanamine?
The InChIKey is IHDOBHUEBWOVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c13-6-12-15-7-11(16-12)9-3-4-10-8(9)2-1-5-14-10/h1-3,5,7H,4,6,13H2,(H,15,16).
What are the key properties of [5-(7H-cyclopenta[b]pyridin-5-yl)-1H-imidazol-2-yl]methanamine?
[5-(7H-cyclopenta[b]pyridin-5-yl)-1H-imidazol-2-yl]methanamine has a molecular weight of 212.26 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(7H-cyclopenta[b]pyridin-5-yl)-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 58443086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).