N'-(2-methyl-3H-benzimidazol-5-yl)ethanimidamide

C10H12N4 — CID 59210445

IUPACN'-(2-methyl-3H-benzimidazol-5-yl)ethanimidamide
SMILESC/C(N)=N\c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C10H12N4/c1-6(11)12-8-3-4-9-10(5-8)14-7(2)13-9/h3-5H,1-2H3,(H2,11,12)(H,13,14)
InChIKeyBWQMRXRDWFBUCU-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.88
Rot. Bonds1

About N'-(2-methyl-3H-benzimidazol-5-yl)ethanimidamide

N'-(2-methyl-3H-benzimidazol-5-yl)ethanimidamide (PubChem CID 59210445) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is N'-(2-methyl-3H-benzimidazol-5-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(2-methyl-3H-benzimidazol-5-yl)ethanimidamide
PubChem CID59210445
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC NameN'-(2-methyl-3H-benzimidazol-5-yl)ethanimidamide
SMILESC/C(N)=N\c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C10H12N4/c1-6(11)12-8-3-4-9-10(5-8)14-7(2)13-9/h3-5H,1-2H3,(H2,11,12)(H,13,14)
InChIKeyBWQMRXRDWFBUCU-UHFFFAOYSA-N
XLogP1.88
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.88
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-[N'-(2-methyl-3H-benzimidazol-5-yl)carbamimidoyl]benzamide
CID 142011119
N'-[2-(3,4-dichlorophenyl)-3H-benzimidazol-5-yl]ethanimidamide
CID 23085615
methyl 4-[6-(1-aminoethylideneamino)-1H-benzimidazol-2-yl]benzoate;hydrochloride
CID 23085771
2-methyl-3H-benzimidazole-5-thiol
CID 43154899
2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 116914786
(2-methyl-3H-benzimidazol-5-yl)boronic acid
CID 119084623
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
ethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine
CID 156727544
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
(2S)-2-amino-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid
CID 96583220
2-(methylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 116961662
2-[2-(4-phenylphenyl)-3H-benzimidazol-5-yl]guanidine
CID 164615291

Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-3H-benzimidazol-5-yl)ethanimidamide?
The IUPAC name of N'-(2-methyl-3H-benzimidazol-5-yl)ethanimidamide (CID 59210445) is N'-(2-methyl-3H-benzimidazol-5-yl)ethanimidamide.
What is the SMILES notation for N'-(2-methyl-3H-benzimidazol-5-yl)ethanimidamide?
The canonical SMILES for N'-(2-methyl-3H-benzimidazol-5-yl)ethanimidamide is C/C(N)=N\c1ccc2nc(C)[nH]c2c1.
What is the InChIKey of N'-(2-methyl-3H-benzimidazol-5-yl)ethanimidamide?
The InChIKey is BWQMRXRDWFBUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-6(11)12-8-3-4-9-10(5-8)14-7(2)13-9/h3-5H,1-2H3,(H2,11,12)(H,13,14).
What are the key properties of N'-(2-methyl-3H-benzimidazol-5-yl)ethanimidamide?
N'-(2-methyl-3H-benzimidazol-5-yl)ethanimidamide has a molecular weight of 188.23 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-3H-benzimidazol-5-yl)ethanimidamide is sourced from PubChem (CID 59210445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).