N-[(E)-[4-(4,5-dihydro-1H-imidazol-2-ylmethyliminomethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine

C15H19N7 — CID 172918425

IUPACN-[(E)-[4-(4,5-dihydro-1H-imidazol-2-ylmethyliminomethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESC(=N/CC1=NCCN1)\c1ccc(/C=N/NC2=NCCN2)cc1
InChIInChI=1S/C15H19N7/c1-3-13(10-21-22-15-19-7-8-20-15)4-2-12(1)9-16-11-14-17-5-6-18-14/h1-4,9-10H,5-8,11H2,(H,17,18)(H2,19,20,22)/b16-9+,21-10+
InChIKeyDVPKPBYMTPYHTQ-PGZNPFONSA-N
MW297.37 g/mol
LogP-0.01
Rot. Bonds5

About N-[(E)-[4-(4,5-dihydro-1H-imidazol-2-ylmethyliminomethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine

N-[(E)-[4-(4,5-dihydro-1H-imidazol-2-ylmethyliminomethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 172918425) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is N-[(E)-[4-(4,5-dihydro-1H-imidazol-2-ylmethyliminomethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(E)-[4-(4,5-dihydro-1H-imidazol-2-ylmethyliminomethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID172918425
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC NameN-[(E)-[4-(4,5-dihydro-1H-imidazol-2-ylmethyliminomethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESC(=N/CC1=NCCN1)\c1ccc(/C=N/NC2=NCCN2)cc1
InChIInChI=1S/C15H19N7/c1-3-13(10-21-22-15-19-7-8-20-15)4-2-12(1)9-16-11-14-17-5-6-18-14/h1-4,9-10H,5-8,11H2,(H,17,18)(H2,19,20,22)/b16-9+,21-10+
InChIKeyDVPKPBYMTPYHTQ-PGZNPFONSA-N
XLogP-0.01
TPSA85.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(4,5-dihydro-1H-imidazol-2-ylmethyliminomethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(E)-[4-(4,5-dihydro-1H-imidazol-2-ylmethyliminomethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine (CID 172918425) is N-[(E)-[4-(4,5-dihydro-1H-imidazol-2-ylmethyliminomethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(E)-[4-(4,5-dihydro-1H-imidazol-2-ylmethyliminomethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(E)-[4-(4,5-dihydro-1H-imidazol-2-ylmethyliminomethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine is C(=N/CC1=NCCN1)\c1ccc(/C=N/NC2=NCCN2)cc1.
What is the InChIKey of N-[(E)-[4-(4,5-dihydro-1H-imidazol-2-ylmethyliminomethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is DVPKPBYMTPYHTQ-PGZNPFONSA-N. The full InChI is InChI=1S/C15H19N7/c1-3-13(10-21-22-15-19-7-8-20-15)4-2-12(1)9-16-11-14-17-5-6-18-14/h1-4,9-10H,5-8,11H2,(H,17,18)(H2,19,20,22)/b16-9+,21-10+.
What are the key properties of N-[(E)-[4-(4,5-dihydro-1H-imidazol-2-ylmethyliminomethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
N-[(E)-[4-(4,5-dihydro-1H-imidazol-2-ylmethyliminomethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 297.37 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(4,5-dihydro-1H-imidazol-2-ylmethyliminomethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 172918425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).