2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride

C26H24Cl4N6O2 — CID 131880616

IUPAC2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(C2=NCCN2)cc1)c1cc(Cl)c(C(=O)Nc2ccc(C3=NCCN3)cc2)cc1Cl
InChIInChI=1S/C26H22Cl2N6O2.2ClH/c27-21-14-20(26(36)34-18-7-3-16(4-8-18)24-31-11-12-32-24)22(28)13-19(21)25(35)33-17-5-1-15(2-6-17)23-29-9-10-30-23;;/h1-8,13-14H,9-12H2,(H,29,30)(H,31,32)(H,33,35)(H,34,36);2*1H
InChIKeyCRKVAAKHBANNJP-UHFFFAOYSA-N
MW594.33 g/mol
LogP5.04
Rot. Bonds6

About 2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride

2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride (PubChem CID 131880616) has the molecular formula C26H24Cl4N6O2 and a molecular weight of 594.33 g/mol. Its IUPAC name is 2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride.

Molecular Properties

Compound Name2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride
PubChem CID131880616
Molecular FormulaC26H24Cl4N6O2
Molecular Weight594.33 g/mol
Exact Mass592.07
IUPAC Name2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(C2=NCCN2)cc1)c1cc(Cl)c(C(=O)Nc2ccc(C3=NCCN3)cc2)cc1Cl
InChIInChI=1S/C26H22Cl2N6O2.2ClH/c27-21-14-20(26(36)34-18-7-3-16(4-8-18)24-31-11-12-32-24)22(28)13-19(21)25(35)33-17-5-1-15(2-6-17)23-29-9-10-30-23;;/h1-8,13-14H,9-12H2,(H,29,30)(H,31,32)(H,33,35)(H,34,36);2*1H
InChIKeyCRKVAAKHBANNJP-UHFFFAOYSA-N
XLogP5.04
TPSA106.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.33
LogP ≤ 55.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,2-dicarboxamide
CID 3036997
2-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyridine-2,6-dicarboxamide;dihydrochloride
CID 131876063
2-bromo-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 131876062
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide;hydrochloride
CID 44531278
2-acetamido-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;hydrochloride
CID 44530994
5-amino-1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide;dihydrochloride
CID 131880619
2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide
CID 122189110
1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;methanesulfonic acid
CID 76853603
1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide;methanesulfonic acid
CID 76853602
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
4-chloro-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82239946
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-methylpyrazole-4-carboxamide
CID 110461808

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride?
The IUPAC name of 2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride (CID 131880616) is 2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride.
What is the SMILES notation for 2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride?
The canonical SMILES for 2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(C2=NCCN2)cc1)c1cc(Cl)c(C(=O)Nc2ccc(C3=NCCN3)cc2)cc1Cl.
What is the InChIKey of 2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride?
The InChIKey is CRKVAAKHBANNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N6O2.2ClH/c27-21-14-20(26(36)34-18-7-3-16(4-8-18)24-31-11-12-32-24)22(28)13-19(21)25(35)33-17-5-1-15(2-6-17)23-29-9-10-30-23;;/h1-8,13-14H,9-12H2,(H,29,30)(H,31,32)(H,33,35)(H,34,36);2*1H.
What are the key properties of 2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride?
2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride has a molecular weight of 594.33 g/mol, XLogP of 5.04, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride is sourced from PubChem (CID 131880616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).