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

C19H23N5 — CID 111034361

IUPAC1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
SMILESCc1ccc(N/C(N)=N/CCn2c(C)nc3ccccc32)cc1C
InChIInChI=1S/C19H23N5/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)
InChIKeyRNZHPGFIEQNQFC-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.39
Rot. Bonds4

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

1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine (PubChem CID 111034361) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
PubChem CID111034361
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
SMILESCc1ccc(N/C(N)=N/CCn2c(C)nc3ccccc32)cc1C
InChIInChI=1S/C19H23N5/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)
InChIKeyRNZHPGFIEQNQFC-UHFFFAOYSA-N
XLogP3.39
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.39
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'}

Analyze 1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine 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-(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-oxo-3H-benzimidazol-1-yl)ethyl]guanidine
CID 111824835
1-(2,5-diethoxyphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide
CID 111034406
1-butyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111030936
1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111074814
2-[3-(1H-benzimidazol-2-yl)propyl]-1-(3,4-dimethylphenyl)guanidine
CID 111064170
1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 110029594
1-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111034408
4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide
CID 110919439
1-(3,4-dimethylphenyl)-2-[4-(1,3-dioxoisoindol-2-yl)butyl]guanidine
CID 111810630
1-(3,4-dimethylphenyl)-2-(3-phenoxypropyl)guanidine
CID 111036910

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine (CID 111034361) is 1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine is Cc1ccc(N/C(N)=N/CCn2c(C)nc3ccccc32)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine?
The InChIKey is RNZHPGFIEQNQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/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).
What are the key properties of 1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine?
1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine has a molecular weight of 321.43 g/mol, XLogP of 3.39, 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 is sourced from PubChem (CID 111034361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).