2-[3-[2-amino-3-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-4-yl]propyl]guanidine

C14H23N7 — CID 146623914

IUPAC2-[3-[2-amino-3-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-4-yl]propyl]guanidine
SMILESNC(N)=NCCCC1CN=C(N)N1CCc1cccnc1
InChIInChI=1S/C14H23N7/c15-13(16)19-7-2-4-12-10-20-14(17)21(12)8-5-11-3-1-6-18-9-11/h1,3,6,9,12H,2,4-5,7-8,10H2,(H2,17,20)(H4,15,16,19)
InChIKeyMVXSCYCMCQNCFC-UHFFFAOYSA-N
MW289.39 g/mol
LogP-0.32
Rot. Bonds7

About 2-[3-[2-amino-3-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-4-yl]propyl]guanidine

2-[3-[2-amino-3-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-4-yl]propyl]guanidine (PubChem CID 146623914) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 2-[3-[2-amino-3-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-4-yl]propyl]guanidine.

Molecular Properties

Compound Name2-[3-[2-amino-3-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-4-yl]propyl]guanidine
PubChem CID146623914
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name2-[3-[2-amino-3-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-4-yl]propyl]guanidine
SMILESNC(N)=NCCCC1CN=C(N)N1CCc1cccnc1
InChIInChI=1S/C14H23N7/c15-13(16)19-7-2-4-12-10-20-14(17)21(12)8-5-11-3-1-6-18-9-11/h1,3,6,9,12H,2,4-5,7-8,10H2,(H2,17,20)(H4,15,16,19)
InChIKeyMVXSCYCMCQNCFC-UHFFFAOYSA-N
XLogP-0.32
TPSA118.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-amino-3-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-4-yl]propyl]guanidine?
The IUPAC name of 2-[3-[2-amino-3-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-4-yl]propyl]guanidine (CID 146623914) is 2-[3-[2-amino-3-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-4-yl]propyl]guanidine.
What is the SMILES notation for 2-[3-[2-amino-3-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-4-yl]propyl]guanidine?
The canonical SMILES for 2-[3-[2-amino-3-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-4-yl]propyl]guanidine is NC(N)=NCCCC1CN=C(N)N1CCc1cccnc1.
What is the InChIKey of 2-[3-[2-amino-3-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-4-yl]propyl]guanidine?
The InChIKey is MVXSCYCMCQNCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c15-13(16)19-7-2-4-12-10-20-14(17)21(12)8-5-11-3-1-6-18-9-11/h1,3,6,9,12H,2,4-5,7-8,10H2,(H2,17,20)(H4,15,16,19).
What are the key properties of 2-[3-[2-amino-3-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-4-yl]propyl]guanidine?
2-[3-[2-amino-3-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-4-yl]propyl]guanidine has a molecular weight of 289.39 g/mol, XLogP of -0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-amino-3-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-4-yl]propyl]guanidine is sourced from PubChem (CID 146623914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).