2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine

C14H19N5 — CID 110029580

IUPAC2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine
SMILESCN(/C(N)=N/CCc1nc2ccccc2[nH]1)C1CC1
InChIInChI=1S/C14H19N5/c1-19(10-6-7-10)14(15)16-9-8-13-17-11-4-2-3-5-12(11)18-13/h2-5,10H,6-9H2,1H3,(H2,15,16)(H,17,18)
InChIKeyOHCIPDBRJNSVHP-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.51
Rot. Bonds4

About 2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine

2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine (PubChem CID 110029580) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine.

Molecular Properties

Compound Name2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine
PubChem CID110029580
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine
SMILESCN(/C(N)=N/CCc1nc2ccccc2[nH]1)C1CC1
InChIInChI=1S/C14H19N5/c1-19(10-6-7-10)14(15)16-9-8-13-17-11-4-2-3-5-12(11)18-13/h2-5,10H,6-9H2,1H3,(H2,15,16)(H,17,18)
InChIKeyOHCIPDBRJNSVHP-UHFFFAOYSA-N
XLogP1.51
TPSA70.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N'-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919750
N'-[2-(1H-benzimidazol-2-yl)ethyl]-2-sulfanylethanimidamide;dihydrochloride
CID 131875532
1-cyclopropyl-1-methyl-2-(2-naphthalen-1-ylethyl)guanidine
CID 110030115
N'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide
CID 111033753
2-[2-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylguanidine;hydroiodide
CID 111033686
N'-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111033752
2-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-diethylguanidine
CID 110914745
4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine
CID 79121832
1-cyclopropyl-1-methyl-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine
CID 110031501
2-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111033680
2-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-methylphenyl)guanidine
CID 111033665
N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyloxan-4-amine
CID 29258744

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine?
The IUPAC name of 2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine (CID 110029580) is 2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine.
What is the SMILES notation for 2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine?
The canonical SMILES for 2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine is CN(/C(N)=N/CCc1nc2ccccc2[nH]1)C1CC1.
What is the InChIKey of 2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine?
The InChIKey is OHCIPDBRJNSVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-19(10-6-7-10)14(15)16-9-8-13-17-11-4-2-3-5-12(11)18-13/h2-5,10H,6-9H2,1H3,(H2,15,16)(H,17,18).
What are the key properties of 2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine?
2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine has a molecular weight of 257.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-1-methylguanidine is sourced from PubChem (CID 110029580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).