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

C18H21N7 — CID 10019859

IUPAC4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine
SMILESc1cc(Nc2ccc(NC3=NCCN3)cc2)ccc1NC1=NCCN1
InChIInChI=1S/C18H21N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-8,23H,9-12H2,(H2,19,20,24)(H2,21,22,25)
InChIKeyAJWTXSLKVJNYAB-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.17
Rot. Bonds4

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

4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine (PubChem CID 10019859) has the molecular formula C18H21N7 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine
PubChem CID10019859
Molecular FormulaC18H21N7
Molecular Weight335.41 g/mol
Exact Mass335.19
IUPAC Name4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine
SMILESc1cc(Nc2ccc(NC3=NCCN3)cc2)ccc1NC1=NCCN1
InChIInChI=1S/C18H21N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-8,23H,9-12H2,(H2,19,20,24)(H2,21,22,25)
InChIKeyAJWTXSLKVJNYAB-UHFFFAOYSA-N
XLogP2.17
TPSA84.87 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine (CID 10019859) is 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine is c1cc(Nc2ccc(NC3=NCCN3)cc2)ccc1NC1=NCCN1.
What is the InChIKey of 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine?
The InChIKey is AJWTXSLKVJNYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-8,23H,9-12H2,(H2,19,20,24)(H2,21,22,25).
What are the key properties of 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine?
4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine has a molecular weight of 335.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 10019859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).