[4-(1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl)phenyl]methanamine

C12H14N4 — CID 83949428

IUPAC[4-(1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nc3c([nH]2)CNC3)cc1
InChIInChI=1S/C12H14N4/c13-5-8-1-3-9(4-2-8)12-15-10-6-14-7-11(10)16-12/h1-4,14H,5-7,13H2,(H,15,16)
InChIKeyHGHOXKMKXGMXJQ-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.14
Rot. Bonds2

About [4-(1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl)phenyl]methanamine

[4-(1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl)phenyl]methanamine (PubChem CID 83949428) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is [4-(1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl)phenyl]methanamine
PubChem CID83949428
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name[4-(1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nc3c([nH]2)CNC3)cc1
InChIInChI=1S/C12H14N4/c13-5-8-1-3-9(4-2-8)12-15-10-6-14-7-11(10)16-12/h1-4,14H,5-7,13H2,(H,15,16)
InChIKeyHGHOXKMKXGMXJQ-UHFFFAOYSA-N
XLogP1.14
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl)phenyl]methanamine?
The IUPAC name of [4-(1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl)phenyl]methanamine (CID 83949428) is [4-(1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl)phenyl]methanamine is NCc1ccc(-c2nc3c([nH]2)CNC3)cc1.
What is the InChIKey of [4-(1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl)phenyl]methanamine?
The InChIKey is HGHOXKMKXGMXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-5-8-1-3-9(4-2-8)12-15-10-6-14-7-11(10)16-12/h1-4,14H,5-7,13H2,(H,15,16).
What are the key properties of [4-(1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl)phenyl]methanamine?
[4-(1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl)phenyl]methanamine has a molecular weight of 214.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 83949428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).