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

C20H17N5 — CID 164615291

IUPAC2-[2-(4-phenylphenyl)-3H-benzimidazol-5-yl]guanidine
SMILESNC(N)=Nc1ccc2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C20H17N5/c21-20(22)23-16-10-11-17-18(12-16)25-19(24-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,24,25)(H4,21,22,23)
InChIKeyRAPCVVSSMCIZQZ-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.80
Rot. Bonds3

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

2-[2-(4-phenylphenyl)-3H-benzimidazol-5-yl]guanidine (PubChem CID 164615291) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[2-(4-phenylphenyl)-3H-benzimidazol-5-yl]guanidine.

Molecular Properties

Compound Name2-[2-(4-phenylphenyl)-3H-benzimidazol-5-yl]guanidine
PubChem CID164615291
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name2-[2-(4-phenylphenyl)-3H-benzimidazol-5-yl]guanidine
SMILESNC(N)=Nc1ccc2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C20H17N5/c21-20(22)23-16-10-11-17-18(12-16)25-19(24-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,24,25)(H4,21,22,23)
InChIKeyRAPCVVSSMCIZQZ-UHFFFAOYSA-N
XLogP3.80
TPSA93.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.80
H-Bond Donors ≤ 53
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

2-[2-(4-cyanophenyl)-3H-benzimidazol-5-yl]guanidine
CID 164627119
2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide
CID 15435186
2-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-3H-benzimidazole-5-carboxylic acid
CID 168602752
N'-[2-(3,4-dichlorophenyl)-3H-benzimidazol-5-yl]ethanimidamide
CID 23085615
2-phenyl-3H-benzimidazole-5-thiol
CID 57216404
N'-hydroxy-2-[4-[6-(N'-hydroxycarbamimidoyl)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazole-5-carboximidamide
CID 147189272
2-[4-(4-carbamimidoylphenyl)phenyl]-3H-benzimidazole-5-carboximidamide
CID 5327049
2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide
CID 169368117
methyl 4-[6-(1-aminoethylideneamino)-1H-benzimidazol-2-yl]benzoate;hydrochloride
CID 23085771
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
2-[2-[5-[4-(dimethylamino)phenyl]-1H-indol-3-yl]-3H-benzimidazol-5-yl]guanidine
CID 156797897
N,N-dihydroxy-2-phenyl-3H-benzimidazol-5-amine
CID 123138623

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenylphenyl)-3H-benzimidazol-5-yl]guanidine?
The IUPAC name of 2-[2-(4-phenylphenyl)-3H-benzimidazol-5-yl]guanidine (CID 164615291) is 2-[2-(4-phenylphenyl)-3H-benzimidazol-5-yl]guanidine.
What is the SMILES notation for 2-[2-(4-phenylphenyl)-3H-benzimidazol-5-yl]guanidine?
The canonical SMILES for 2-[2-(4-phenylphenyl)-3H-benzimidazol-5-yl]guanidine is NC(N)=Nc1ccc2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of 2-[2-(4-phenylphenyl)-3H-benzimidazol-5-yl]guanidine?
The InChIKey is RAPCVVSSMCIZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c21-20(22)23-16-10-11-17-18(12-16)25-19(24-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,24,25)(H4,21,22,23).
What are the key properties of 2-[2-(4-phenylphenyl)-3H-benzimidazol-5-yl]guanidine?
2-[2-(4-phenylphenyl)-3H-benzimidazol-5-yl]guanidine has a molecular weight of 327.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylphenyl)-3H-benzimidazol-5-yl]guanidine is sourced from PubChem (CID 164615291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).