2-propan-2-yl-1-[4-[4-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine

C26H32N6 — CID 25187928

IUPAC2-propan-2-yl-1-[4-[4-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine
SMILESCC(C)/N=C(\N)Nc1ccc(-c2ccc(-c3ccc(N/C(N)=N/C(C)C)cc3)cc2)cc1
InChIInChI=1S/C26H32N6/c1-17(2)29-25(27)31-23-13-9-21(10-14-23)19-5-7-20(8-6-19)22-11-15-24(16-12-22)32-26(28)30-18(3)4/h5-18H,1-4H3,(H3,27,29,31)(H3,28,30,32)
InChIKeyFTVYTODPEHWSPL-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.29
Rot. Bonds6

About 2-propan-2-yl-1-[4-[4-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine

2-propan-2-yl-1-[4-[4-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine (PubChem CID 25187928) has the molecular formula C26H32N6 and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-propan-2-yl-1-[4-[4-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine.

Molecular Properties

Compound Name2-propan-2-yl-1-[4-[4-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine
PubChem CID25187928
Molecular FormulaC26H32N6
Molecular Weight428.58 g/mol
Exact Mass428.27
IUPAC Name2-propan-2-yl-1-[4-[4-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine
SMILESCC(C)/N=C(\N)Nc1ccc(-c2ccc(-c3ccc(N/C(N)=N/C(C)C)cc3)cc2)cc1
InChIInChI=1S/C26H32N6/c1-17(2)29-25(27)31-23-13-9-21(10-14-23)19-5-7-20(8-6-19)22-11-15-24(16-12-22)32-26(28)30-18(3)4/h5-18H,1-4H3,(H3,27,29,31)(H3,28,30,32)
InChIKeyFTVYTODPEHWSPL-UHFFFAOYSA-N
XLogP5.29
TPSA100.82 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.29
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-propan-2-yl-1-[4-[4-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine?
The IUPAC name of 2-propan-2-yl-1-[4-[4-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine (CID 25187928) is 2-propan-2-yl-1-[4-[4-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine.
What is the SMILES notation for 2-propan-2-yl-1-[4-[4-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine?
The canonical SMILES for 2-propan-2-yl-1-[4-[4-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine is CC(C)/N=C(\N)Nc1ccc(-c2ccc(-c3ccc(N/C(N)=N/C(C)C)cc3)cc2)cc1.
What is the InChIKey of 2-propan-2-yl-1-[4-[4-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine?
The InChIKey is FTVYTODPEHWSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6/c1-17(2)29-25(27)31-23-13-9-21(10-14-23)19-5-7-20(8-6-19)22-11-15-24(16-12-22)32-26(28)30-18(3)4/h5-18H,1-4H3,(H3,27,29,31)(H3,28,30,32).
What are the key properties of 2-propan-2-yl-1-[4-[4-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine?
2-propan-2-yl-1-[4-[4-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine has a molecular weight of 428.58 g/mol, XLogP of 5.29, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-[4-[4-[4-[(N'-propan-2-ylcarbamimidoyl)amino]phenyl]phenyl]phenyl]guanidine is sourced from PubChem (CID 25187928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).