N'-[2-(3,4-dichlorophenyl)-3H-benzimidazol-5-yl]ethanimidamide

C15H12Cl2N4 — CID 23085615

IUPACN'-[2-(3,4-dichlorophenyl)-3H-benzimidazol-5-yl]ethanimidamide
SMILESC/C(N)=N\c1ccc2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C15H12Cl2N4/c1-8(18)19-10-3-5-13-14(7-10)21-15(20-13)9-2-4-11(16)12(17)6-9/h2-7H,1H3,(H2,18,19)(H,20,21)
InChIKeyOHYWLYUELUXRCY-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.55
Rot. Bonds2

About N'-[2-(3,4-dichlorophenyl)-3H-benzimidazol-5-yl]ethanimidamide

N'-[2-(3,4-dichlorophenyl)-3H-benzimidazol-5-yl]ethanimidamide (PubChem CID 23085615) has the molecular formula C15H12Cl2N4 and a molecular weight of 319.20 g/mol. Its IUPAC name is N'-[2-(3,4-dichlorophenyl)-3H-benzimidazol-5-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[2-(3,4-dichlorophenyl)-3H-benzimidazol-5-yl]ethanimidamide
PubChem CID23085615
Molecular FormulaC15H12Cl2N4
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN'-[2-(3,4-dichlorophenyl)-3H-benzimidazol-5-yl]ethanimidamide
SMILESC/C(N)=N\c1ccc2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C15H12Cl2N4/c1-8(18)19-10-3-5-13-14(7-10)21-15(20-13)9-2-4-11(16)12(17)6-9/h2-7H,1H3,(H2,18,19)(H,20,21)
InChIKeyOHYWLYUELUXRCY-UHFFFAOYSA-N
XLogP4.55
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.55
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

methyl 4-[6-(1-aminoethylideneamino)-1H-benzimidazol-2-yl]benzoate;hydrochloride
CID 23085771
N'-(2-methyl-3H-benzimidazol-5-yl)ethanimidamide
CID 59210445
2-[2-(4-phenylphenyl)-3H-benzimidazol-5-yl]guanidine
CID 164615291
N'-[2-(3,4-dichlorophenyl)quinolin-7-yl]ethanimidamide
CID 68545730
2-[2-(4-cyanophenyl)-3H-benzimidazol-5-yl]guanidine
CID 164627119
2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62067790
2-chloro-N'-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]ethanimidamide
CID 169368338
2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide
CID 169368117
prop-2-ynyl 2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylate
CID 91673725
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 113227780
N'-hydroxy-2-[4-[6-(N'-hydroxycarbamimidoyl)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazole-5-carboximidamide
CID 147189272

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dichlorophenyl)-3H-benzimidazol-5-yl]ethanimidamide?
The IUPAC name of N'-[2-(3,4-dichlorophenyl)-3H-benzimidazol-5-yl]ethanimidamide (CID 23085615) is N'-[2-(3,4-dichlorophenyl)-3H-benzimidazol-5-yl]ethanimidamide.
What is the SMILES notation for N'-[2-(3,4-dichlorophenyl)-3H-benzimidazol-5-yl]ethanimidamide?
The canonical SMILES for N'-[2-(3,4-dichlorophenyl)-3H-benzimidazol-5-yl]ethanimidamide is C/C(N)=N\c1ccc2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c1.
What is the InChIKey of N'-[2-(3,4-dichlorophenyl)-3H-benzimidazol-5-yl]ethanimidamide?
The InChIKey is OHYWLYUELUXRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4/c1-8(18)19-10-3-5-13-14(7-10)21-15(20-13)9-2-4-11(16)12(17)6-9/h2-7H,1H3,(H2,18,19)(H,20,21).
What are the key properties of N'-[2-(3,4-dichlorophenyl)-3H-benzimidazol-5-yl]ethanimidamide?
N'-[2-(3,4-dichlorophenyl)-3H-benzimidazol-5-yl]ethanimidamide has a molecular weight of 319.20 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dichlorophenyl)-3H-benzimidazol-5-yl]ethanimidamide is sourced from PubChem (CID 23085615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).