2-[2-(benzimidazol-1-yl)phenyl]-1-(diaminomethylidene)guanidine

C15H15N7 — CID 168603959

IUPAC2-[2-(benzimidazol-1-yl)phenyl]-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/c1ccccc1-n1cnc2ccccc21
InChIInChI=1S/C15H15N7/c16-14(17)21-15(18)20-11-6-2-4-8-13(11)22-9-19-10-5-1-3-7-12(10)22/h1-9H,(H6,16,17,18,20,21)
InChIKeyREYGNRMULOGRMR-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.25
Rot. Bonds2

About 2-[2-(benzimidazol-1-yl)phenyl]-1-(diaminomethylidene)guanidine

2-[2-(benzimidazol-1-yl)phenyl]-1-(diaminomethylidene)guanidine (PubChem CID 168603959) has the molecular formula C15H15N7 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[2-(benzimidazol-1-yl)phenyl]-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-[2-(benzimidazol-1-yl)phenyl]-1-(diaminomethylidene)guanidine
PubChem CID168603959
Molecular FormulaC15H15N7
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name2-[2-(benzimidazol-1-yl)phenyl]-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/c1ccccc1-n1cnc2ccccc21
InChIInChI=1S/C15H15N7/c16-14(17)21-15(18)20-11-6-2-4-8-13(11)22-9-19-10-5-1-3-7-12(10)22/h1-9H,(H6,16,17,18,20,21)
InChIKeyREYGNRMULOGRMR-UHFFFAOYSA-N
XLogP1.25
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.25
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-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide
CID 114883369
[2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride
CID 75529767
1-(2-ethylphenyl)benzimidazole
CID 22078308
(1S)-1-[2-(benzimidazol-1-yl)phenyl]ethanol
CID 78941271
4-(benzimidazol-1-yl)-2-chloro-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide
CID 22996172
1-(2,3-dichlorophenyl)benzimidazole
CID 42636654
2-(benzimidazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide
CID 76984718
2-(benzimidazol-1-yl)-6-fluorobenzenecarboximidamide;hydrochloride
CID 82253500
3-(benzimidazol-1-yl)naphthalen-2-ol
CID 57307843
2-(benzimidazol-1-yl)-5-bromobenzamide
CID 114896304
2-(benzimidazol-1-yl)-4-bromobenzamide
CID 114907649
[2-(benzimidazol-1-yl)-6-fluorophenyl]methanamine
CID 79516380

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzimidazol-1-yl)phenyl]-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-[2-(benzimidazol-1-yl)phenyl]-1-(diaminomethylidene)guanidine (CID 168603959) is 2-[2-(benzimidazol-1-yl)phenyl]-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-[2-(benzimidazol-1-yl)phenyl]-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-[2-(benzimidazol-1-yl)phenyl]-1-(diaminomethylidene)guanidine is NC(N)=N/C(N)=N/c1ccccc1-n1cnc2ccccc21.
What is the InChIKey of 2-[2-(benzimidazol-1-yl)phenyl]-1-(diaminomethylidene)guanidine?
The InChIKey is REYGNRMULOGRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7/c16-14(17)21-15(18)20-11-6-2-4-8-13(11)22-9-19-10-5-1-3-7-12(10)22/h1-9H,(H6,16,17,18,20,21).
What are the key properties of 2-[2-(benzimidazol-1-yl)phenyl]-1-(diaminomethylidene)guanidine?
2-[2-(benzimidazol-1-yl)phenyl]-1-(diaminomethylidene)guanidine has a molecular weight of 293.33 g/mol, XLogP of 1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzimidazol-1-yl)phenyl]-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 168603959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).