1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine

C15H21N5 — CID 110029594

IUPAC1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
SMILESCc1nc2ccccc2n1CC/N=C(\N)N(C)C1CC1
InChIInChI=1S/C15H21N5/c1-11-18-13-5-3-4-6-14(13)20(11)10-9-17-15(16)19(2)12-7-8-12/h3-6,12H,7-10H2,1-2H3,(H2,16,17)
InChIKeyVGWNZHHRZCLYGE-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.75
Rot. Bonds4

About 1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine

1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine (PubChem CID 110029594) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
PubChem CID110029594
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
SMILESCc1nc2ccccc2n1CC/N=C(\N)N(C)C1CC1
InChIInChI=1S/C15H21N5/c1-11-18-13-5-3-4-6-14(13)20(11)10-9-17-15(16)19(2)12-7-8-12/h3-6,12H,7-10H2,1-2H3,(H2,16,17)
InChIKeyVGWNZHHRZCLYGE-UHFFFAOYSA-N
XLogP1.75
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide
CID 110919439
4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110919438
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
1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine;hydroiodide
CID 111034360
4-(2-methylbenzimidazol-1-yl)butanethioamide
CID 24696929
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
2-[[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]methyl]cyclopentan-1-ol
CID 109397859
1-butyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111030936
N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane
CID 144946605
1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine
CID 28712904
1-[4-(dimethylamino)azepan-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one
CID 56907377

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine (CID 110029594) is 1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine is Cc1nc2ccccc2n1CC/N=C(\N)N(C)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine?
The InChIKey is VGWNZHHRZCLYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-18-13-5-3-4-6-14(13)20(11)10-9-17-15(16)19(2)12-7-8-12/h3-6,12H,7-10H2,1-2H3,(H2,16,17).
What are the key properties of 1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine?
1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine has a molecular weight of 271.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine is sourced from PubChem (CID 110029594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).