N'-hydrazinyl-2-[1-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboximidamide

C20H26N8 — CID 138615112

IUPACN'-hydrazinyl-2-[1-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboximidamide
SMILESCc1ccc(CN(C)CCn2cnc(-c3cc(/C(N)=N/NN)ccn3)c2)cc1
InChIInChI=1S/C20H26N8/c1-15-3-5-16(6-4-15)12-27(2)9-10-28-13-19(24-14-28)18-11-17(7-8-23-18)20(21)25-26-22/h3-8,11,13-14,26H,9-10,12,22H2,1-2H3,(H2,21,25)
InChIKeySBANAEJJLQWCHB-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.47
Rot. Bonds8

About N'-hydrazinyl-2-[1-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboximidamide

N'-hydrazinyl-2-[1-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboximidamide (PubChem CID 138615112) has the molecular formula C20H26N8 and a molecular weight of 378.48 g/mol. Its IUPAC name is N'-hydrazinyl-2-[1-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydrazinyl-2-[1-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboximidamide
PubChem CID138615112
Molecular FormulaC20H26N8
Molecular Weight378.48 g/mol
Exact Mass378.23
IUPAC NameN'-hydrazinyl-2-[1-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboximidamide
SMILESCc1ccc(CN(C)CCn2cnc(-c3cc(/C(N)=N/NN)ccn3)c2)cc1
InChIInChI=1S/C20H26N8/c1-15-3-5-16(6-4-15)12-27(2)9-10-28-13-19(24-14-28)18-11-17(7-8-23-18)20(21)25-26-22/h3-8,11,13-14,26H,9-10,12,22H2,1-2H3,(H2,21,25)
InChIKeySBANAEJJLQWCHB-UHFFFAOYSA-N
XLogP1.47
TPSA110.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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'-hydrazinyl-2-[1-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboximidamide?
The IUPAC name of N'-hydrazinyl-2-[1-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboximidamide (CID 138615112) is N'-hydrazinyl-2-[1-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboximidamide.
What is the SMILES notation for N'-hydrazinyl-2-[1-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboximidamide?
The canonical SMILES for N'-hydrazinyl-2-[1-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboximidamide is Cc1ccc(CN(C)CCn2cnc(-c3cc(/C(N)=N/NN)ccn3)c2)cc1.
What is the InChIKey of N'-hydrazinyl-2-[1-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboximidamide?
The InChIKey is SBANAEJJLQWCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8/c1-15-3-5-16(6-4-15)12-27(2)9-10-28-13-19(24-14-28)18-11-17(7-8-23-18)20(21)25-26-22/h3-8,11,13-14,26H,9-10,12,22H2,1-2H3,(H2,21,25).
What are the key properties of N'-hydrazinyl-2-[1-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboximidamide?
N'-hydrazinyl-2-[1-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboximidamide has a molecular weight of 378.48 g/mol, XLogP of 1.47, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydrazinyl-2-[1-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboximidamide is sourced from PubChem (CID 138615112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).