N'-(1-methylbenzimidazol-2-yl)ethanimidamide

C10H12N4 — CID 144505597

IUPACN'-(1-methylbenzimidazol-2-yl)ethanimidamide
SMILESC/C(N)=N/c1nc2ccccc2n1C
InChIInChI=1S/C10H12N4/c1-7(11)12-10-13-8-5-3-4-6-9(8)14(10)2/h3-6H,1-2H3,(H2,11,12,13)
InChIKeyUHGXAKUYOIHIML-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.58
Rot. Bonds1

About N'-(1-methylbenzimidazol-2-yl)ethanimidamide

N'-(1-methylbenzimidazol-2-yl)ethanimidamide (PubChem CID 144505597) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is N'-(1-methylbenzimidazol-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(1-methylbenzimidazol-2-yl)ethanimidamide
PubChem CID144505597
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC NameN'-(1-methylbenzimidazol-2-yl)ethanimidamide
SMILESC/C(N)=N/c1nc2ccccc2n1C
InChIInChI=1S/C10H12N4/c1-7(11)12-10-13-8-5-3-4-6-9(8)14(10)2/h3-6H,1-2H3,(H2,11,12,13)
InChIKeyUHGXAKUYOIHIML-UHFFFAOYSA-N
XLogP1.58
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of N'-(1-methylbenzimidazol-2-yl)ethanimidamide?
The IUPAC name of N'-(1-methylbenzimidazol-2-yl)ethanimidamide (CID 144505597) is N'-(1-methylbenzimidazol-2-yl)ethanimidamide.
What is the SMILES notation for N'-(1-methylbenzimidazol-2-yl)ethanimidamide?
The canonical SMILES for N'-(1-methylbenzimidazol-2-yl)ethanimidamide is C/C(N)=N/c1nc2ccccc2n1C.
What is the InChIKey of N'-(1-methylbenzimidazol-2-yl)ethanimidamide?
The InChIKey is UHGXAKUYOIHIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-7(11)12-10-13-8-5-3-4-6-9(8)14(10)2/h3-6H,1-2H3,(H2,11,12,13).
What are the key properties of N'-(1-methylbenzimidazol-2-yl)ethanimidamide?
N'-(1-methylbenzimidazol-2-yl)ethanimidamide has a molecular weight of 188.23 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methylbenzimidazol-2-yl)ethanimidamide is sourced from PubChem (CID 144505597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).