4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-fluorobenzamide

C19H20FN7O — CID 122189109

IUPAC4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(NC2=NCCN2)cc1)c1ccc(NC2=NCCN2)c(F)c1
InChIInChI=1S/C19H20FN7O/c20-15-11-12(1-6-16(15)27-19-23-9-10-24-19)17(28)25-13-2-4-14(5-3-13)26-18-21-7-8-22-18/h1-6,11H,7-10H2,(H,25,28)(H2,21,22,26)(H2,23,24,27)
InChIKeyJSZVIUIVSUYYLM-UHFFFAOYSA-N
MW381.42 g/mol
LogP1.82
Rot. Bonds4

About 4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-fluorobenzamide

4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-fluorobenzamide (PubChem CID 122189109) has the molecular formula C19H20FN7O and a molecular weight of 381.42 g/mol. Its IUPAC name is 4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-fluorobenzamide
PubChem CID122189109
Molecular FormulaC19H20FN7O
Molecular Weight381.42 g/mol
Exact Mass381.17
IUPAC Name4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(NC2=NCCN2)cc1)c1ccc(NC2=NCCN2)c(F)c1
InChIInChI=1S/C19H20FN7O/c20-15-11-12(1-6-16(15)27-19-23-9-10-24-19)17(28)25-13-2-4-14(5-3-13)26-18-21-7-8-22-18/h1-6,11H,7-10H2,(H,25,28)(H2,21,22,26)(H2,23,24,27)
InChIKeyJSZVIUIVSUYYLM-UHFFFAOYSA-N
XLogP1.82
TPSA101.94 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 51.82
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]-3-fluorobenzamide?
The IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-fluorobenzamide (CID 122189109) is 4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-fluorobenzamide.
What is the SMILES notation for 4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-fluorobenzamide?
The canonical SMILES for 4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-fluorobenzamide is O=C(Nc1ccc(NC2=NCCN2)cc1)c1ccc(NC2=NCCN2)c(F)c1.
What is the InChIKey of 4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-fluorobenzamide?
The InChIKey is JSZVIUIVSUYYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O/c20-15-11-12(1-6-16(15)27-19-23-9-10-24-19)17(28)25-13-2-4-14(5-3-13)26-18-21-7-8-22-18/h1-6,11H,7-10H2,(H,25,28)(H2,21,22,26)(H2,23,24,27).
What are the key properties of 4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-fluorobenzamide?
4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-fluorobenzamide has a molecular weight of 381.42 g/mol, XLogP of 1.82, 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]-3-fluorobenzamide is sourced from PubChem (CID 122189109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).