1-(1-methoxypropan-2-yl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide

C16H26IN5O — CID 111031011

IUPAC1-(1-methoxypropan-2-yl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide
SMILESCOCC(C)N/C(N)=N/CCCn1c(C)nc2ccccc21.I
InChIInChI=1S/C16H25N5O.HI/c1-12(11-22-3)19-16(17)18-9-6-10-21-13(2)20-14-7-4-5-8-15(14)21;/h4-5,7-8,12H,6,9-11H2,1-3H3,(H3,17,18,19);1H
InChIKeyFVSASISOPSOWBK-UHFFFAOYSA-N
MW431.32 g/mol
LogP2.29
Rot. Bonds7

About 1-(1-methoxypropan-2-yl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide

1-(1-methoxypropan-2-yl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide (PubChem CID 111031011) has the molecular formula C16H26IN5O and a molecular weight of 431.32 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide
PubChem CID111031011
Molecular FormulaC16H26IN5O
Molecular Weight431.32 g/mol
Exact Mass431.12
IUPAC Name1-(1-methoxypropan-2-yl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide
SMILESCOCC(C)N/C(N)=N/CCCn1c(C)nc2ccccc21.I
InChIInChI=1S/C16H25N5O.HI/c1-12(11-22-3)19-16(17)18-9-6-10-21-13(2)20-14-7-4-5-8-15(14)21;/h4-5,7-8,12H,6,9-11H2,1-3H3,(H3,17,18,19);1H
InChIKeyFVSASISOPSOWBK-UHFFFAOYSA-N
XLogP2.29
TPSA77.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(1-methoxypropan-2-yl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]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-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine
CID 62536970
1-butyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111030936
1-(4-methoxybutyl)-2-methylbenzimidazole
CID 104649828
1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide
CID 111034360
2-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-prop-2-enylguanidine
CID 136700060
1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 111034361
N-[2-[[N-ethyl-N'-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111352723
4-(2-methylbenzimidazol-1-yl)butanethioamide
CID 24696929
2-[4-(4-benzylpiperidin-1-yl)butyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111807935
N'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide
CID 54965968
methyl 2-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]propanoate
CID 91659946
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(1-methoxypropan-2-yl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide (CID 111031011) is 1-(1-methoxypropan-2-yl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide is COCC(C)N/C(N)=N/CCCn1c(C)nc2ccccc21.I.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide?
The InChIKey is FVSASISOPSOWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O.HI/c1-12(11-22-3)19-16(17)18-9-6-10-21-13(2)20-14-7-4-5-8-15(14)21;/h4-5,7-8,12H,6,9-11H2,1-3H3,(H3,17,18,19);1H.
What are the key properties of 1-(1-methoxypropan-2-yl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide?
1-(1-methoxypropan-2-yl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide has a molecular weight of 431.32 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111031011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).