[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine

C13H15N3 — CID 84734776

IUPAC[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine
SMILESNCc1cccc(-c2cn3c(n2)CCC3)c1
InChIInChI=1S/C13H15N3/c14-8-10-3-1-4-11(7-10)12-9-16-6-2-5-13(16)15-12/h1,3-4,7,9H,2,5-6,8,14H2
InChIKeyYVVMSWMHDXRJPJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.96
Rot. Bonds2

About [3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine

[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine (PubChem CID 84734776) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is [3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine
PubChem CID84734776
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine
SMILESNCc1cccc(-c2cn3c(n2)CCC3)c1
InChIInChI=1S/C13H15N3/c14-8-10-3-1-4-11(7-10)12-9-16-6-2-5-13(16)15-12/h1,3-4,7,9H,2,5-6,8,14H2
InChIKeyYVVMSWMHDXRJPJ-UHFFFAOYSA-N
XLogP1.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine?
The IUPAC name of [3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine (CID 84734776) is [3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine?
The canonical SMILES for [3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine is NCc1cccc(-c2cn3c(n2)CCC3)c1.
What is the InChIKey of [3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine?
The InChIKey is YVVMSWMHDXRJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-8-10-3-1-4-11(7-10)12-9-16-6-2-5-13(16)15-12/h1,3-4,7,9H,2,5-6,8,14H2.
What are the key properties of [3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine?
[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine has a molecular weight of 213.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 84734776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).