1-cyclopropyl-1-methyl-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine

C14H19N5O — CID 110031501

IUPAC1-cyclopropyl-1-methyl-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine
SMILESCN(/C(N)=N/CCn1c(=O)[nH]c2ccccc21)C1CC1
InChIInChI=1S/C14H19N5O/c1-18(10-6-7-10)13(15)16-8-9-19-12-5-3-2-4-11(12)17-14(19)20/h2-5,10H,6-9H2,1H3,(H2,15,16)(H,17,20)
InChIKeyDUUXJTLREUVIGG-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.74
Rot. Bonds4

About 1-cyclopropyl-1-methyl-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine

1-cyclopropyl-1-methyl-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine (PubChem CID 110031501) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine
PubChem CID110031501
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-cyclopropyl-1-methyl-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine
SMILESCN(/C(N)=N/CCn1c(=O)[nH]c2ccccc21)C1CC1
InChIInChI=1S/C14H19N5O/c1-18(10-6-7-10)13(15)16-8-9-19-12-5-3-2-4-11(12)17-14(19)20/h2-5,10H,6-9H2,1H3,(H2,15,16)(H,17,20)
InChIKeyDUUXJTLREUVIGG-UHFFFAOYSA-N
XLogP0.74
TPSA79.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.74
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine (CID 110031501) is 1-cyclopropyl-1-methyl-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine is CN(/C(N)=N/CCn1c(=O)[nH]c2ccccc21)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine?
The InChIKey is DUUXJTLREUVIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-18(10-6-7-10)13(15)16-8-9-19-12-5-3-2-4-11(12)17-14(19)20/h2-5,10H,6-9H2,1H3,(H2,15,16)(H,17,20).
What are the key properties of 1-cyclopropyl-1-methyl-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine?
1-cyclopropyl-1-methyl-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine has a molecular weight of 273.34 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine is sourced from PubChem (CID 110031501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).