1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride

C26H28Cl2N8O2 — CID 131876826

IUPAC1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(C2=NCCN2)cc1)Nc1ccccc1NC(=O)Nc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C26H26N8O2.2ClH/c35-25(31-19-9-5-17(6-10-19)23-27-13-14-28-23)33-21-3-1-2-4-22(21)34-26(36)32-20-11-7-18(8-12-20)24-29-15-16-30-24;;/h1-12H,13-16H2,(H,27,28)(H,29,30)(H2,31,33,35)(H2,32,34,36);2*1H
InChIKeyZRJUDERSIUYUDT-UHFFFAOYSA-N
MW555.47 g/mol
LogP4.52
Rot. Bonds6

About 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride

1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride (PubChem CID 131876826) has the molecular formula C26H28Cl2N8O2 and a molecular weight of 555.47 g/mol. Its IUPAC name is 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride.

Molecular Properties

Compound Name1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride
PubChem CID131876826
Molecular FormulaC26H28Cl2N8O2
Molecular Weight555.47 g/mol
Exact Mass554.17
IUPAC Name1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(C2=NCCN2)cc1)Nc1ccccc1NC(=O)Nc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C26H26N8O2.2ClH/c35-25(31-19-9-5-17(6-10-19)23-27-13-14-28-23)33-21-3-1-2-4-22(21)34-26(36)32-20-11-7-18(8-12-20)24-29-15-16-30-24;;/h1-12H,13-16H2,(H,27,28)(H,29,30)(H2,31,33,35)(H2,32,34,36);2*1H
InChIKeyZRJUDERSIUYUDT-UHFFFAOYSA-N
XLogP4.52
TPSA131.04 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.47
LogP ≤ 54.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride?
The IUPAC name of 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride (CID 131876826) is 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride.
What is the SMILES notation for 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride?
The canonical SMILES for 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride is Cl.Cl.O=C(Nc1ccc(C2=NCCN2)cc1)Nc1ccccc1NC(=O)Nc1ccc(C2=NCCN2)cc1.
What is the InChIKey of 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride?
The InChIKey is ZRJUDERSIUYUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2.2ClH/c35-25(31-19-9-5-17(6-10-19)23-27-13-14-28-23)33-21-3-1-2-4-22(21)34-26(36)32-20-11-7-18(8-12-20)24-29-15-16-30-24;;/h1-12H,13-16H2,(H,27,28)(H,29,30)(H2,31,33,35)(H2,32,34,36);2*1H.
What are the key properties of 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride?
1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride has a molecular weight of 555.47 g/mol, XLogP of 4.52, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride is sourced from PubChem (CID 131876826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).