2-amino-1-N,4-N-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;hydrochloride

C28H30ClN7O2 — CID 54601421

IUPAC2-amino-1-N,4-N-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;hydrochloride
SMILESCN1CCN=C1c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C4=NCCN4C)cc3)c(N)c2)cc1.Cl
InChIInChI=1S/C28H29N7O2.ClH/c1-34-15-13-30-25(34)18-3-8-21(9-4-18)32-27(36)20-7-12-23(24(29)17-20)28(37)33-22-10-5-19(6-11-22)26-31-14-16-35(26)2;/h3-12,17H,13-16,29H2,1-2H3,(H,32,36)(H,33,37);1H
InChIKeySAEOHYIMWMYHLQ-UHFFFAOYSA-N
MW532.05 g/mol
LogP3.58
Rot. Bonds6

About 2-amino-1-N,4-N-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;hydrochloride

2-amino-1-N,4-N-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;hydrochloride (PubChem CID 54601421) has the molecular formula C28H30ClN7O2 and a molecular weight of 532.05 g/mol. Its IUPAC name is 2-amino-1-N,4-N-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name2-amino-1-N,4-N-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;hydrochloride
PubChem CID54601421
Molecular FormulaC28H30ClN7O2
Molecular Weight532.05 g/mol
Exact Mass531.21
IUPAC Name2-amino-1-N,4-N-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;hydrochloride
SMILESCN1CCN=C1c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C4=NCCN4C)cc3)c(N)c2)cc1.Cl
InChIInChI=1S/C28H29N7O2.ClH/c1-34-15-13-30-25(34)18-3-8-21(9-4-18)32-27(36)20-7-12-23(24(29)17-20)28(37)33-22-10-5-19(6-11-22)26-31-14-16-35(26)2;/h3-12,17H,13-16,29H2,1-2H3,(H,32,36)(H,33,37);1H
InChIKeySAEOHYIMWMYHLQ-UHFFFAOYSA-N
XLogP3.58
TPSA115.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.05
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-1-N,4-N-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-N,4-N-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;hydrochloride?
The IUPAC name of 2-amino-1-N,4-N-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;hydrochloride (CID 54601421) is 2-amino-1-N,4-N-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 2-amino-1-N,4-N-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;hydrochloride?
The canonical SMILES for 2-amino-1-N,4-N-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;hydrochloride is CN1CCN=C1c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C4=NCCN4C)cc3)c(N)c2)cc1.Cl.
What is the InChIKey of 2-amino-1-N,4-N-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;hydrochloride?
The InChIKey is SAEOHYIMWMYHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O2.ClH/c1-34-15-13-30-25(34)18-3-8-21(9-4-18)32-27(36)20-7-12-23(24(29)17-20)28(37)33-22-10-5-19(6-11-22)26-31-14-16-35(26)2;/h3-12,17H,13-16,29H2,1-2H3,(H,32,36)(H,33,37);1H.
What are the key properties of 2-amino-1-N,4-N-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;hydrochloride?
2-amino-1-N,4-N-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;hydrochloride has a molecular weight of 532.05 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-N,4-N-bis[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 54601421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).