1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide

C19H21IN6 — CID 111088490

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccnc(-n2ccnc2)c1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H20N6.HI/c20-19(24-17-5-4-15-2-1-3-16(15)11-17)23-12-14-6-7-22-18(10-14)25-9-8-21-13-25;/h4-11,13H,1-3,12H2,(H3,20,23,24);1H
InChIKeyFJGNACDSXUKTFV-UHFFFAOYSA-N
MW460.32 g/mol
LogP3.30
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide

1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 111088490) has the molecular formula C19H21IN6 and a molecular weight of 460.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
PubChem CID111088490
Molecular FormulaC19H21IN6
Molecular Weight460.32 g/mol
Exact Mass460.09
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccnc(-n2ccnc2)c1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H20N6.HI/c20-19(24-17-5-4-15-2-1-3-16(15)11-17)23-12-14-6-7-22-18(10-14)25-9-8-21-13-25;/h4-11,13H,1-3,12H2,(H3,20,23,24);1H
InChIKeyFJGNACDSXUKTFV-UHFFFAOYSA-N
XLogP3.30
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.32
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721534
2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111088438
2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111088492
2-benzyl-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111022842
1,1-diethyl-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111088458
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylpyrrol-3-yl)methyl]guanidine
CID 111721769
1-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-3-pyridinyl)methyl]guanidine
CID 119118827
1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-fluorophenyl)methyl]guanidine
CID 111044144
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 111071811
N-[3-[[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide;hydroiodide
CID 111077114
2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111088472
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-ethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 120973408

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide (CID 111088490) is 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide is I.N/C(=N\Cc1ccnc(-n2ccnc2)c1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide?
The InChIKey is FJGNACDSXUKTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6.HI/c20-19(24-17-5-4-15-2-1-3-16(15)11-17)23-12-14-6-7-22-18(10-14)25-9-8-21-13-25;/h4-11,13H,1-3,12H2,(H3,20,23,24);1H.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide?
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 460.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111088490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).