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

C26H24N6O2 — CID 3036997

IUPAC1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,2-dicarboxamide
SMILESO=C(Nc1ccc(C2=NCCN2)cc1)c1ccccc1C(=O)Nc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C26H24N6O2/c33-25(31-19-9-5-17(6-10-19)23-27-13-14-28-23)21-3-1-2-4-22(21)26(34)32-20-11-7-18(8-12-20)24-29-15-16-30-24/h1-12H,13-16H2,(H,27,28)(H,29,30)(H,31,33)(H,32,34)
InChIKeyYLSZUMYICQWCKS-UHFFFAOYSA-N
MW452.52 g/mol
LogP2.89
Rot. Bonds6

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

1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,2-dicarboxamide (PubChem CID 3036997) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,2-dicarboxamide
PubChem CID3036997
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,2-dicarboxamide
SMILESO=C(Nc1ccc(C2=NCCN2)cc1)c1ccccc1C(=O)Nc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C26H24N6O2/c33-25(31-19-9-5-17(6-10-19)23-27-13-14-28-23)21-3-1-2-4-22(21)26(34)32-20-11-7-18(8-12-20)24-29-15-16-30-24/h1-12H,13-16H2,(H,27,28)(H,29,30)(H,31,33)(H,32,34)
InChIKeyYLSZUMYICQWCKS-UHFFFAOYSA-N
XLogP2.89
TPSA106.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 131880616
2-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyridine-2,6-dicarboxamide;dihydrochloride
CID 131876063
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
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
1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;methanesulfonic acid
CID 76853603
2-bromo-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 131876062
1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide;methanesulfonic acid
CID 76853602
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
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-methylpyrazole-4-carboxamide
CID 110461808
2-amino-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methylpropanamide
CID 110460893
benzene-1,2,4,5-tetracarboxylic acid;tetrakis(2-phenyl-4,5-dihydro-1H-imidazole)
CID 175004780

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,2-dicarboxamide (CID 3036997) is 1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,2-dicarboxamide is O=C(Nc1ccc(C2=NCCN2)cc1)c1ccccc1C(=O)Nc1ccc(C2=NCCN2)cc1.
What is the InChIKey of 1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,2-dicarboxamide?
The InChIKey is YLSZUMYICQWCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c33-25(31-19-9-5-17(6-10-19)23-27-13-14-28-23)21-3-1-2-4-22(21)26(34)32-20-11-7-18(8-12-20)24-29-15-16-30-24/h1-12H,13-16H2,(H,27,28)(H,29,30)(H,31,33)(H,32,34).
What are the key properties of 1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,2-dicarboxamide?
1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,2-dicarboxamide has a molecular weight of 452.52 g/mol, XLogP of 2.89, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,2-dicarboxamide is sourced from PubChem (CID 3036997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).