2-methyl-1-[4-[4-[4-[(N'-methylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine

C22H24N6 — CID 25187654

IUPAC2-methyl-1-[4-[4-[4-[(N'-methylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine
SMILESC/N=C(\N)Nc1ccc(-c2ccc(-c3ccc(N/C(N)=N/C)cc3)cc2)cc1
InChIInChI=1S/C22H24N6/c1-25-21(23)27-19-11-7-17(8-12-19)15-3-5-16(6-4-15)18-9-13-20(14-10-18)28-22(24)26-2/h3-14H,1-2H3,(H3,23,25,27)(H3,24,26,28)
InChIKeyBSJIHWXMHPWPOR-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.73
Rot. Bonds4

About 2-methyl-1-[4-[4-[4-[(N'-methylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine

2-methyl-1-[4-[4-[4-[(N'-methylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine (PubChem CID 25187654) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 2-methyl-1-[4-[4-[4-[(N'-methylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[4-[4-[4-[(N'-methylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine
PubChem CID25187654
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name2-methyl-1-[4-[4-[4-[(N'-methylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine
SMILESC/N=C(\N)Nc1ccc(-c2ccc(-c3ccc(N/C(N)=N/C)cc3)cc2)cc1
InChIInChI=1S/C22H24N6/c1-25-21(23)27-19-11-7-17(8-12-19)15-3-5-16(6-4-15)18-9-13-20(14-10-18)28-22(24)26-2/h3-14H,1-2H3,(H3,23,25,27)(H3,24,26,28)
InChIKeyBSJIHWXMHPWPOR-UHFFFAOYSA-N
XLogP3.73
TPSA100.82 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.73
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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Related Compounds

Di-o-tolylguanidine
CID 7333
Guanidine, N,N'-bis(methylphenyl)-
CID 41011
N,N'-Bis-(4-hexyl-phenyl)-guanidine
CID 9821194
N,N'-Bis-(4-butyl-phenyl)-guanidine
CID 10496171
N,N'-Bis-(4-sec-butyl-phenyl)-guanidine
CID 10526122
N-(4'-isopropyl-4-biphenylyl)urea
CID 11630239
N,N'-Bis-(4-isopropyl-phenyl)-guanidine
CID 13781937
N,N''-Bis(4-ethylphenyl)guanidine
CID 14771671
6,6-Dimethyl-1-(p-tolyl)-1,3,5-triazine-2,4-diamine
CID 309795
alpha,Alphapr-(4-ethylanilino)-P-xylene
CID 328731
s-Triazine, 1,2-dihydro-1-(p-butylphenyl)-4,6-diamino-2,2-dimethyl-
CID 78387
1-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]phenyl]-2-propylguanidine;dihydrochloride
CID 162655408

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[4-[4-[(N'-methylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine?
The IUPAC name of 2-methyl-1-[4-[4-[4-[(N'-methylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine (CID 25187654) is 2-methyl-1-[4-[4-[4-[(N'-methylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine.
What is the SMILES notation for 2-methyl-1-[4-[4-[4-[(N'-methylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine?
The canonical SMILES for 2-methyl-1-[4-[4-[4-[(N'-methylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine is C/N=C(\N)Nc1ccc(-c2ccc(-c3ccc(N/C(N)=N/C)cc3)cc2)cc1.
What is the InChIKey of 2-methyl-1-[4-[4-[4-[(N'-methylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine?
The InChIKey is BSJIHWXMHPWPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c1-25-21(23)27-19-11-7-17(8-12-19)15-3-5-16(6-4-15)18-9-13-20(14-10-18)28-22(24)26-2/h3-14H,1-2H3,(H3,23,25,27)(H3,24,26,28).
What are the key properties of 2-methyl-1-[4-[4-[4-[(N'-methylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine?
2-methyl-1-[4-[4-[4-[(N'-methylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine has a molecular weight of 372.48 g/mol, XLogP of 3.73, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[4-[4-[(N'-methylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine is sourced from PubChem (CID 25187654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).