4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide;dihydrochloride

C19H23Cl2N7O — CID 90664728

IUPAC4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(NC2=NCCN2)cc1)c1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C19H21N7O.2ClH/c27-17(13-1-3-15(4-2-13)25-18-20-9-10-21-18)24-14-5-7-16(8-6-14)26-19-22-11-12-23-19;;/h1-8H,9-12H2,(H,24,27)(H2,20,21,25)(H2,22,23,26);2*1H
InChIKeyKBIQTTOCXYGSFM-UHFFFAOYSA-N
MW436.35 g/mol
LogP2.52
Rot. Bonds4

About 4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide;dihydrochloride

4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide;dihydrochloride (PubChem CID 90664728) has the molecular formula C19H23Cl2N7O and a molecular weight of 436.35 g/mol. Its IUPAC name is 4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide;dihydrochloride
PubChem CID90664728
Molecular FormulaC19H23Cl2N7O
Molecular Weight436.35 g/mol
Exact Mass435.13
IUPAC Name4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(NC2=NCCN2)cc1)c1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C19H21N7O.2ClH/c27-17(13-1-3-15(4-2-13)25-18-20-9-10-21-18)24-14-5-7-16(8-6-14)26-19-22-11-12-23-19;;/h1-8H,9-12H2,(H,24,27)(H2,20,21,25)(H2,22,23,26);2*1H
InChIKeyKBIQTTOCXYGSFM-UHFFFAOYSA-N
XLogP2.52
TPSA101.94 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.35
LogP ≤ 52.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide;dihydrochloride?
The IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide;dihydrochloride (CID 90664728) is 4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide;dihydrochloride.
What is the SMILES notation for 4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide;dihydrochloride?
The canonical SMILES for 4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(NC2=NCCN2)cc1)c1ccc(NC2=NCCN2)cc1.
What is the InChIKey of 4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide;dihydrochloride?
The InChIKey is KBIQTTOCXYGSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O.2ClH/c27-17(13-1-3-15(4-2-13)25-18-20-9-10-21-18)24-14-5-7-16(8-6-14)26-19-22-11-12-23-19;;/h1-8H,9-12H2,(H,24,27)(H2,20,21,25)(H2,22,23,26);2*1H.
What are the key properties of 4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide;dihydrochloride?
4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide;dihydrochloride has a molecular weight of 436.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide;dihydrochloride is sourced from PubChem (CID 90664728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).