N-[(E)-[4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide

C14H19BrN8 — CID 45263576

IUPACN-[(E)-[4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
SMILESBr.C(=N/NC1=NCCN1)\c1ccc(/C=N/NC2=NCCN2)cc1
InChIInChI=1S/C14H18N8.BrH/c1-2-12(10-20-22-14-17-7-8-18-14)4-3-11(1)9-19-21-13-15-5-6-16-13;/h1-4,9-10H,5-8H2,(H2,15,16,21)(H2,17,18,22);1H/b19-9+,20-10+;
InChIKeyWNUQJJRSHNIBNK-HCURTGQUSA-N
MW379.27 g/mol
LogP0.03
Rot. Bonds4

About N-[(E)-[4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide

N-[(E)-[4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide (PubChem CID 45263576) has the molecular formula C14H19BrN8 and a molecular weight of 379.27 g/mol. Its IUPAC name is N-[(E)-[4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide.

Molecular Properties

Compound NameN-[(E)-[4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
PubChem CID45263576
Molecular FormulaC14H19BrN8
Molecular Weight379.27 g/mol
Exact Mass378.09
IUPAC NameN-[(E)-[4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
SMILESBr.C(=N/NC1=NCCN1)\c1ccc(/C=N/NC2=NCCN2)cc1
InChIInChI=1S/C14H18N8.BrH/c1-2-12(10-20-22-14-17-7-8-18-14)4-3-11(1)9-19-21-13-15-5-6-16-13;/h1-4,9-10H,5-8H2,(H2,15,16,21)(H2,17,18,22);1H/b19-9+,20-10+;
InChIKeyWNUQJJRSHNIBNK-HCURTGQUSA-N
XLogP0.03
TPSA97.56 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide?
The IUPAC name of N-[(E)-[4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide (CID 45263576) is N-[(E)-[4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide.
What is the SMILES notation for N-[(E)-[4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide?
The canonical SMILES for N-[(E)-[4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide is Br.C(=N/NC1=NCCN1)\c1ccc(/C=N/NC2=NCCN2)cc1.
What is the InChIKey of N-[(E)-[4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide?
The InChIKey is WNUQJJRSHNIBNK-HCURTGQUSA-N. The full InChI is InChI=1S/C14H18N8.BrH/c1-2-12(10-20-22-14-17-7-8-18-14)4-3-11(1)9-19-21-13-15-5-6-16-13;/h1-4,9-10H,5-8H2,(H2,15,16,21)(H2,17,18,22);1H/b19-9+,20-10+;.
What are the key properties of N-[(E)-[4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide?
N-[(E)-[4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide has a molecular weight of 379.27 g/mol, XLogP of 0.03, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide is sourced from PubChem (CID 45263576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).