2-[4-[4-[4-(diaminomethylideneamino)phenyl]phenyl]phenyl]guanidine

C20H20N6 — CID 25187369

IUPAC2-[4-[4-[4-(diaminomethylideneamino)phenyl]phenyl]phenyl]guanidine
SMILESNC(N)=Nc1ccc(-c2ccc(-c3ccc(N=C(N)N)cc3)cc2)cc1
InChIInChI=1S/C20H20N6/c21-19(22)25-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)26-20(23)24/h1-12H,(H4,21,22,25)(H4,23,24,26)
InChIKeyGACRELNDQRIYMT-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.83
Rot. Bonds4

About 2-[4-[4-[4-(diaminomethylideneamino)phenyl]phenyl]phenyl]guanidine

2-[4-[4-[4-(diaminomethylideneamino)phenyl]phenyl]phenyl]guanidine (PubChem CID 25187369) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[4-[4-[4-(diaminomethylideneamino)phenyl]phenyl]phenyl]guanidine.

Molecular Properties

Compound Name2-[4-[4-[4-(diaminomethylideneamino)phenyl]phenyl]phenyl]guanidine
PubChem CID25187369
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name2-[4-[4-[4-(diaminomethylideneamino)phenyl]phenyl]phenyl]guanidine
SMILESNC(N)=Nc1ccc(-c2ccc(-c3ccc(N=C(N)N)cc3)cc2)cc1
InChIInChI=1S/C20H20N6/c21-19(22)25-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)26-20(23)24/h1-12H,(H4,21,22,25)(H4,23,24,26)
InChIKeyGACRELNDQRIYMT-UHFFFAOYSA-N
XLogP2.83
TPSA128.80 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.83
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(diaminomethylideneamino)phenyl]phenyl]phenyl]guanidine?
The IUPAC name of 2-[4-[4-[4-(diaminomethylideneamino)phenyl]phenyl]phenyl]guanidine (CID 25187369) is 2-[4-[4-[4-(diaminomethylideneamino)phenyl]phenyl]phenyl]guanidine.
What is the SMILES notation for 2-[4-[4-[4-(diaminomethylideneamino)phenyl]phenyl]phenyl]guanidine?
The canonical SMILES for 2-[4-[4-[4-(diaminomethylideneamino)phenyl]phenyl]phenyl]guanidine is NC(N)=Nc1ccc(-c2ccc(-c3ccc(N=C(N)N)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[4-[4-(diaminomethylideneamino)phenyl]phenyl]phenyl]guanidine?
The InChIKey is GACRELNDQRIYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c21-19(22)25-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)26-20(23)24/h1-12H,(H4,21,22,25)(H4,23,24,26).
What are the key properties of 2-[4-[4-[4-(diaminomethylideneamino)phenyl]phenyl]phenyl]guanidine?
2-[4-[4-[4-(diaminomethylideneamino)phenyl]phenyl]phenyl]guanidine has a molecular weight of 344.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(diaminomethylideneamino)phenyl]phenyl]phenyl]guanidine is sourced from PubChem (CID 25187369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).