2-[3-(benzimidazol-1-yl)propyl]-1-cyclopropyl-1-methylguanidine

C15H21N5 — CID 110029560

IUPAC2-[3-(benzimidazol-1-yl)propyl]-1-cyclopropyl-1-methylguanidine
SMILESCN(/C(N)=N/CCCn1cnc2ccccc21)C1CC1
InChIInChI=1S/C15H21N5/c1-19(12-7-8-12)15(16)17-9-4-10-20-11-18-13-5-2-3-6-14(13)20/h2-3,5-6,11-12H,4,7-10H2,1H3,(H2,16,17)
InChIKeyYFOZWRHYVXPSCK-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.84
Rot. Bonds5

About 2-[3-(benzimidazol-1-yl)propyl]-1-cyclopropyl-1-methylguanidine

2-[3-(benzimidazol-1-yl)propyl]-1-cyclopropyl-1-methylguanidine (PubChem CID 110029560) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-[3-(benzimidazol-1-yl)propyl]-1-cyclopropyl-1-methylguanidine.

Molecular Properties

Compound Name2-[3-(benzimidazol-1-yl)propyl]-1-cyclopropyl-1-methylguanidine
PubChem CID110029560
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-[3-(benzimidazol-1-yl)propyl]-1-cyclopropyl-1-methylguanidine
SMILESCN(/C(N)=N/CCCn1cnc2ccccc21)C1CC1
InChIInChI=1S/C15H21N5/c1-19(12-7-8-12)15(16)17-9-4-10-20-11-18-13-5-2-3-6-14(13)20/h2-3,5-6,11-12H,4,7-10H2,1H3,(H2,16,17)
InChIKeyYFOZWRHYVXPSCK-UHFFFAOYSA-N
XLogP1.84
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-[3-(benzimidazol-1-yl)propyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 111597758
2-[3-(benzimidazol-1-yl)propyl]-1-tert-butylguanidine
CID 111032826
N'-[3-(benzimidazol-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111032891
2-[3-(benzimidazol-1-yl)propyl]-1-prop-2-enylguanidine
CID 136700074
3-(benzimidazol-1-yl)propyl N'-ethylcarbamimidothioate
CID 134202281
2-[3-(benzimidazol-1-yl)propyl]-1-(3-ethoxypropyl)guanidine
CID 111032840
N'-[3-(benzimidazol-1-yl)propyl]-N-ethyl-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111209996
2-[3-(benzimidazol-1-yl)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111189338
2-[2-(benzimidazol-1-yl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 119140734
2-[3-(benzimidazol-1-yl)propyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111032850
1-cyclopropyl-1-methyl-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine
CID 110031501
N'-[3-(benzimidazol-1-yl)propyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956388

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzimidazol-1-yl)propyl]-1-cyclopropyl-1-methylguanidine?
The IUPAC name of 2-[3-(benzimidazol-1-yl)propyl]-1-cyclopropyl-1-methylguanidine (CID 110029560) is 2-[3-(benzimidazol-1-yl)propyl]-1-cyclopropyl-1-methylguanidine.
What is the SMILES notation for 2-[3-(benzimidazol-1-yl)propyl]-1-cyclopropyl-1-methylguanidine?
The canonical SMILES for 2-[3-(benzimidazol-1-yl)propyl]-1-cyclopropyl-1-methylguanidine is CN(/C(N)=N/CCCn1cnc2ccccc21)C1CC1.
What is the InChIKey of 2-[3-(benzimidazol-1-yl)propyl]-1-cyclopropyl-1-methylguanidine?
The InChIKey is YFOZWRHYVXPSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-19(12-7-8-12)15(16)17-9-4-10-20-11-18-13-5-2-3-6-14(13)20/h2-3,5-6,11-12H,4,7-10H2,1H3,(H2,16,17).
What are the key properties of 2-[3-(benzimidazol-1-yl)propyl]-1-cyclopropyl-1-methylguanidine?
2-[3-(benzimidazol-1-yl)propyl]-1-cyclopropyl-1-methylguanidine has a molecular weight of 271.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzimidazol-1-yl)propyl]-1-cyclopropyl-1-methylguanidine is sourced from PubChem (CID 110029560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).