2-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-prop-2-enylguanidine

C14H19N5 — CID 136700060

IUPAC2-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CCn1c(C)nc2ccccc21
InChIInChI=1S/C14H19N5/c1-3-8-16-14(15)17-9-10-19-11(2)18-12-6-4-5-7-13(12)19/h3-7H,1,8-10H2,2H3,(H3,15,16,17)
InChIKeyAUXGQQREAUNHPJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.44
Rot. Bonds5

About 2-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-prop-2-enylguanidine

2-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-prop-2-enylguanidine (PubChem CID 136700060) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-prop-2-enylguanidine.

Molecular Properties

Compound Name2-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-prop-2-enylguanidine
PubChem CID136700060
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CCn1c(C)nc2ccccc21
InChIInChI=1S/C14H19N5/c1-3-8-16-14(15)17-9-10-19-11(2)18-12-6-4-5-7-13(12)19/h3-7H,1,8-10H2,2H3,(H3,15,16,17)
InChIKeyAUXGQQREAUNHPJ-UHFFFAOYSA-N
XLogP1.44
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.44
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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
1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 111034361
1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide
CID 111034360
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-prop-2-enylguanidine
CID 136923663
2-[3-(benzimidazol-1-yl)propyl]-1-prop-2-enylguanidine
CID 136700074
1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 110029594
1-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[(4-nitrophenyl)methyl]-3-prop-2-enylguanidine
CID 111351650
4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide
CID 110919439
1,2-dimethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-pent-4-enylguanidine
CID 109497663
1-(2,5-diethoxyphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide
CID 111034406
1-(1-methoxypropan-2-yl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide
CID 111031011

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-prop-2-enylguanidine?
The IUPAC name of 2-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-prop-2-enylguanidine (CID 136700060) is 2-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-prop-2-enylguanidine.
What is the SMILES notation for 2-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-prop-2-enylguanidine?
The canonical SMILES for 2-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-prop-2-enylguanidine is C=CCN/C(N)=N/CCn1c(C)nc2ccccc21.
What is the InChIKey of 2-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-prop-2-enylguanidine?
The InChIKey is AUXGQQREAUNHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-8-16-14(15)17-9-10-19-11(2)18-12-6-4-5-7-13(12)19/h3-7H,1,8-10H2,2H3,(H3,15,16,17).
What are the key properties of 2-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-prop-2-enylguanidine?
2-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-prop-2-enylguanidine has a molecular weight of 257.34 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-prop-2-enylguanidine is sourced from PubChem (CID 136700060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).