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

C14H12ClN5 — CID 169368117

IUPAC2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide
SMILESN/C(CCl)=N/c1ccc2nc(-c3cccnc3)[nH]c2c1
InChIInChI=1S/C14H12ClN5/c15-7-13(16)18-10-3-4-11-12(6-10)20-14(19-11)9-2-1-5-17-8-9/h1-6,8H,7H2,(H2,16,18)(H,19,20)
InChIKeyUVWVTASPXWGWJA-UHFFFAOYSA-N
MW285.74 g/mol
LogP2.85
Rot. Bonds3

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

2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide (PubChem CID 169368117) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is 2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide
PubChem CID169368117
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC Name2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide
SMILESN/C(CCl)=N/c1ccc2nc(-c3cccnc3)[nH]c2c1
InChIInChI=1S/C14H12ClN5/c15-7-13(16)18-10-3-4-11-12(6-10)20-14(19-11)9-2-1-5-17-8-9/h1-6,8H,7H2,(H2,16,18)(H,19,20)
InChIKeyUVWVTASPXWGWJA-UHFFFAOYSA-N
XLogP2.85
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N'-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]ethanimidamide
CID 169368338
2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292187
2-[2-(4-phenylphenyl)-3H-benzimidazol-5-yl]guanidine
CID 164615291
2-pyridin-3-yl-1H-benzo[f]benzimidazole
CID 3152015
N'-[2-(3,4-dichlorophenyl)-3H-benzimidazol-5-yl]ethanimidamide
CID 23085615
6-prop-2-ynoxy-2-pyridin-3-yl-1H-benzimidazole
CID 84816420
4-hydroxy-6-methyl-3-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)iminomethyl]pyran-2-one
CID 135638352
2-chloro-N'-(3-pyridin-4-ylphenyl)ethanimidamide
CID 169367803
2-[2-(4-cyanophenyl)-3H-benzimidazol-5-yl]guanidine
CID 164627119
5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole
CID 166873941
N'-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloroethanimidamide
CID 169365402
1H-indol-6-ylimino-[4-(6-pyridin-3-yl-1H-benzimidazol-2-yl)benzoyl]iminoazanium
CID 174703396

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide (CID 169368117) is 2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide is N/C(CCl)=N/c1ccc2nc(-c3cccnc3)[nH]c2c1.
What is the InChIKey of 2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide?
The InChIKey is UVWVTASPXWGWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c15-7-13(16)18-10-3-4-11-12(6-10)20-14(19-11)9-2-1-5-17-8-9/h1-6,8H,7H2,(H2,16,18)(H,19,20).
What are the key properties of 2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide?
2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide has a molecular weight of 285.74 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide is sourced from PubChem (CID 169368117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).