1-[[N'-(2-methylphenyl)carbamimidoyl]amino]-2,3-diphenylguanidine

C21H22N6 — CID 57051109

IUPAC1-[[N'-(2-methylphenyl)carbamimidoyl]amino]-2,3-diphenylguanidine
SMILESCc1ccccc1/N=C(\N)NN/C(=N\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C21H22N6/c1-16-10-8-9-15-19(16)25-20(22)26-27-21(23-17-11-4-2-5-12-17)24-18-13-6-3-7-14-18/h2-15H,1H3,(H3,22,25,26)(H2,23,24,27)
InChIKeyCQXGYCPQHFFCSH-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.84
Rot. Bonds3

About 1-[[N'-(2-methylphenyl)carbamimidoyl]amino]-2,3-diphenylguanidine

1-[[N'-(2-methylphenyl)carbamimidoyl]amino]-2,3-diphenylguanidine (PubChem CID 57051109) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[[N'-(2-methylphenyl)carbamimidoyl]amino]-2,3-diphenylguanidine.

Molecular Properties

Compound Name1-[[N'-(2-methylphenyl)carbamimidoyl]amino]-2,3-diphenylguanidine
PubChem CID57051109
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name1-[[N'-(2-methylphenyl)carbamimidoyl]amino]-2,3-diphenylguanidine
SMILESCc1ccccc1/N=C(\N)NN/C(=N\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C21H22N6/c1-16-10-8-9-15-19(16)25-20(22)26-27-21(23-17-11-4-2-5-12-17)24-18-13-6-3-7-14-18/h2-15H,1H3,(H3,22,25,26)(H2,23,24,27)
InChIKeyCQXGYCPQHFFCSH-UHFFFAOYSA-N
XLogP3.84
TPSA86.83 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.84
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine
CID 160707040
acetic acid;1,2-bis(2-methylphenyl)guanidine
CID 160854655
1-anilino-2-phenylguanidine
CID 18758781
zinc;1,2-diphenylguanidine;oxygen(2-);sulfane;hydrate
CID 172780752
N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide
CID 3332745
1-amino-2-(2-chloro-6-methylphenyl)-3-phenylguanidine
CID 116515718
N-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide
CID 4779287
CID 158115670
CID 158115670
2-[4-[[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]amino]phenyl]acetamide
CID 100967758
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
CID 7155
2-amino-N'-(2-methylphenyl)benzenecarboximidamide
CID 15836404
phenyl N'-(2-methylphenyl)carbamimidate
CID 142151989

Frequently Asked Questions

What is the IUPAC name of 1-[[N'-(2-methylphenyl)carbamimidoyl]amino]-2,3-diphenylguanidine?
The IUPAC name of 1-[[N'-(2-methylphenyl)carbamimidoyl]amino]-2,3-diphenylguanidine (CID 57051109) is 1-[[N'-(2-methylphenyl)carbamimidoyl]amino]-2,3-diphenylguanidine.
What is the SMILES notation for 1-[[N'-(2-methylphenyl)carbamimidoyl]amino]-2,3-diphenylguanidine?
The canonical SMILES for 1-[[N'-(2-methylphenyl)carbamimidoyl]amino]-2,3-diphenylguanidine is Cc1ccccc1/N=C(\N)NN/C(=N\c1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-[[N'-(2-methylphenyl)carbamimidoyl]amino]-2,3-diphenylguanidine?
The InChIKey is CQXGYCPQHFFCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-16-10-8-9-15-19(16)25-20(22)26-27-21(23-17-11-4-2-5-12-17)24-18-13-6-3-7-14-18/h2-15H,1H3,(H3,22,25,26)(H2,23,24,27).
What are the key properties of 1-[[N'-(2-methylphenyl)carbamimidoyl]amino]-2,3-diphenylguanidine?
1-[[N'-(2-methylphenyl)carbamimidoyl]amino]-2,3-diphenylguanidine has a molecular weight of 358.45 g/mol, XLogP of 3.84, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[N'-(2-methylphenyl)carbamimidoyl]amino]-2,3-diphenylguanidine is sourced from PubChem (CID 57051109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).