1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide

C19H24IN5 — CID 111034360

IUPAC1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide
SMILESCc1ccc(N/C(N)=N/CCn2c(C)nc3ccccc32)cc1C.I
InChIInChI=1S/C19H23N5.HI/c1-13-8-9-16(12-14(13)2)23-19(20)21-10-11-24-15(3)22-17-6-4-5-7-18(17)24;/h4-9,12H,10-11H2,1-3H3,(H3,20,21,23);1H
InChIKeySIUFCTZETMXXIS-UHFFFAOYSA-N
MW449.34 g/mol
LogP4.01
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide

1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide (PubChem CID 111034360) has the molecular formula C19H24IN5 and a molecular weight of 449.34 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide
PubChem CID111034360
Molecular FormulaC19H24IN5
Molecular Weight449.34 g/mol
Exact Mass449.11
IUPAC Name1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide
SMILESCc1ccc(N/C(N)=N/CCn2c(C)nc3ccccc32)cc1C.I
InChIInChI=1S/C19H23N5.HI/c1-13-8-9-16(12-14(13)2)23-19(20)21-10-11-24-15(3)22-17-6-4-5-7-18(17)24;/h4-9,12H,10-11H2,1-3H3,(H3,20,21,23);1H
InChIKeySIUFCTZETMXXIS-UHFFFAOYSA-N
XLogP4.01
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.34
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 111034361
2-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-prop-2-enylguanidine
CID 136700060
1-(2,5-diethoxyphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide
CID 111034406
1-(3,4-dimethylphenyl)-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine
CID 111824835
1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111074814
1-butyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111030936
1-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111034408
2-[3-(1H-benzimidazol-2-yl)propyl]-1-(3,4-dimethylphenyl)guanidine
CID 111064170
4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110919438
1-(1-methoxypropan-2-yl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide
CID 111031011
1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 110029594
4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide
CID 110919439

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide (CID 111034360) is 1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide is Cc1ccc(N/C(N)=N/CCn2c(C)nc3ccccc32)cc1C.I.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide?
The InChIKey is SIUFCTZETMXXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5.HI/c1-13-8-9-16(12-14(13)2)23-19(20)21-10-11-24-15(3)22-17-6-4-5-7-18(17)24;/h4-9,12H,10-11H2,1-3H3,(H3,20,21,23);1H.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide?
1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide has a molecular weight of 449.34 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111034360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).