1-tert-butyl-3-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide

C16H25IN6 — CID 119116062

IUPAC1-tert-butyl-3-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cccnc1-n1ccnc1)NC(C)(C)C.I
InChIInChI=1S/C16H24N6.HI/c1-5-18-15(21-16(2,3)4)20-11-13-7-6-8-19-14(13)22-10-9-17-12-22;/h6-10,12H,5,11H2,1-4H3,(H2,18,20,21);1H
InChIKeyOUCHDJYBQXJFRL-UHFFFAOYSA-N
MW428.32 g/mol
LogP2.74
Rot. Bonds4

About 1-tert-butyl-3-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide

1-tert-butyl-3-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 119116062) has the molecular formula C16H25IN6 and a molecular weight of 428.32 g/mol. Its IUPAC name is 1-tert-butyl-3-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-tert-butyl-3-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
PubChem CID119116062
Molecular FormulaC16H25IN6
Molecular Weight428.32 g/mol
Exact Mass428.12
IUPAC Name1-tert-butyl-3-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cccnc1-n1ccnc1)NC(C)(C)C.I
InChIInChI=1S/C16H24N6.HI/c1-5-18-15(21-16(2,3)4)20-11-13-7-6-8-19-14(13)22-10-9-17-12-22;/h6-10,12H,5,11H2,1-4H3,(H2,18,20,21);1H
InChIKeyOUCHDJYBQXJFRL-UHFFFAOYSA-N
XLogP2.74
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 52.74
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'}

Analyze 1-tert-butyl-3-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide with MolForge

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

Launch Full Analysis

Related Compounds

1-tert-butyl-3-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 110967209
1-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-prop-2-ynylguanidine
CID 119149052
1-tert-butyl-3-ethyl-2-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]guanidine;hydroiodide
CID 110965621
1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111606064
1-cyclopropyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 119118530
1-tert-butyl-3-ethyl-2-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine
CID 110964245
1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine
CID 99844699
N-ethyl-N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-phenylpyrrolidine-1-carboximidamide
CID 119142539
1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-(3-methoxypropyl)guanidine;hydroiodide
CID 110976640
N-ethyl-N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119142716
1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]guanidine;hydroiodide
CID 111410698
1-tert-butyl-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine
CID 110967302

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-tert-butyl-3-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide (CID 119116062) is 1-tert-butyl-3-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-tert-butyl-3-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-tert-butyl-3-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide is CCN/C(=N\Cc1cccnc1-n1ccnc1)NC(C)(C)C.I.
What is the InChIKey of 1-tert-butyl-3-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide?
The InChIKey is OUCHDJYBQXJFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6.HI/c1-5-18-15(21-16(2,3)4)20-11-13-7-6-8-19-14(13)22-10-9-17-12-22;/h6-10,12H,5,11H2,1-4H3,(H2,18,20,21);1H.
What are the key properties of 1-tert-butyl-3-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide?
1-tert-butyl-3-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 428.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 119116062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).