2-[2-(4-cyanophenyl)-3H-benzimidazol-5-yl]guanidine

C15H12N6 — CID 164627119

IUPAC2-[2-(4-cyanophenyl)-3H-benzimidazol-5-yl]guanidine
SMILESN#Cc1ccc(-c2nc3ccc(N=C(N)N)cc3[nH]2)cc1
InChIInChI=1S/C15H12N6/c16-8-9-1-3-10(4-2-9)14-20-12-6-5-11(19-15(17)18)7-13(12)21-14/h1-7H,(H,20,21)(H4,17,18,19)
InChIKeySKZAQNGZUYKINS-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.01
Rot. Bonds2

About 2-[2-(4-cyanophenyl)-3H-benzimidazol-5-yl]guanidine

2-[2-(4-cyanophenyl)-3H-benzimidazol-5-yl]guanidine (PubChem CID 164627119) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[2-(4-cyanophenyl)-3H-benzimidazol-5-yl]guanidine.

Molecular Properties

Compound Name2-[2-(4-cyanophenyl)-3H-benzimidazol-5-yl]guanidine
PubChem CID164627119
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name2-[2-(4-cyanophenyl)-3H-benzimidazol-5-yl]guanidine
SMILESN#Cc1ccc(-c2nc3ccc(N=C(N)N)cc3[nH]2)cc1
InChIInChI=1S/C15H12N6/c16-8-9-1-3-10(4-2-9)14-20-12-6-5-11(19-15(17)18)7-13(12)21-14/h1-7H,(H,20,21)(H4,17,18,19)
InChIKeySKZAQNGZUYKINS-UHFFFAOYSA-N
XLogP2.01
TPSA116.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.01
H-Bond Donors ≤ 53
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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Related Compounds

2-[2-(4-phenylphenyl)-3H-benzimidazol-5-yl]guanidine
CID 164615291
4-(6-hydroxy-1H-benzimidazol-2-yl)benzonitrile
CID 81431797
4-(6-amino-1H-benzimidazol-2-yl)benzonitrile
CID 19921448
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
CID 112730245
N'-[2-(3,4-dichlorophenyl)-3H-benzimidazol-5-yl]ethanimidamide
CID 23085615
2-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-3H-benzimidazole-5-carbonitrile
CID 46992207
N'-hydroxy-2-[4-[6-(N'-hydroxycarbamimidoyl)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazole-5-carboximidamide
CID 147189272
4-(6-methylsulfonyl-1H-benzimidazol-2-yl)benzonitrile
CID 62069305
methyl 4-[6-(1-aminoethylideneamino)-1H-benzimidazol-2-yl]benzoate;hydrochloride
CID 23085771
2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile
CID 69437638
2-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-3H-benzimidazole-5-carboxylic acid
CID 168602752

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyanophenyl)-3H-benzimidazol-5-yl]guanidine?
The IUPAC name of 2-[2-(4-cyanophenyl)-3H-benzimidazol-5-yl]guanidine (CID 164627119) is 2-[2-(4-cyanophenyl)-3H-benzimidazol-5-yl]guanidine.
What is the SMILES notation for 2-[2-(4-cyanophenyl)-3H-benzimidazol-5-yl]guanidine?
The canonical SMILES for 2-[2-(4-cyanophenyl)-3H-benzimidazol-5-yl]guanidine is N#Cc1ccc(-c2nc3ccc(N=C(N)N)cc3[nH]2)cc1.
What is the InChIKey of 2-[2-(4-cyanophenyl)-3H-benzimidazol-5-yl]guanidine?
The InChIKey is SKZAQNGZUYKINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c16-8-9-1-3-10(4-2-9)14-20-12-6-5-11(19-15(17)18)7-13(12)21-14/h1-7H,(H,20,21)(H4,17,18,19).
What are the key properties of 2-[2-(4-cyanophenyl)-3H-benzimidazol-5-yl]guanidine?
2-[2-(4-cyanophenyl)-3H-benzimidazol-5-yl]guanidine has a molecular weight of 276.30 g/mol, XLogP of 2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyanophenyl)-3H-benzimidazol-5-yl]guanidine is sourced from PubChem (CID 164627119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).