[5-[2-[6-[2-(aminomethyl)-1H-imidazol-5-yl]naphthalen-2-yl]ethynyl]-1H-imidazol-2-yl]methanamine

C20H18N6 — CID 134421389

IUPAC[5-[2-[6-[2-(aminomethyl)-1H-imidazol-5-yl]naphthalen-2-yl]ethynyl]-1H-imidazol-2-yl]methanamine
SMILESNCc1ncc(C#Cc2ccc3cc(-c4cnc(CN)[nH]4)ccc3c2)[nH]1
InChIInChI=1S/C20H18N6/c21-9-19-23-11-17(25-19)6-2-13-1-3-15-8-16(5-4-14(15)7-13)18-12-24-20(10-22)26-18/h1,3-5,7-8,11-12H,9-10,21-22H2,(H,23,25)(H,24,26)
InChIKeyAMCXOEIODYKJPZ-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.27
Rot. Bonds3

About [5-[2-[6-[2-(aminomethyl)-1H-imidazol-5-yl]naphthalen-2-yl]ethynyl]-1H-imidazol-2-yl]methanamine

[5-[2-[6-[2-(aminomethyl)-1H-imidazol-5-yl]naphthalen-2-yl]ethynyl]-1H-imidazol-2-yl]methanamine (PubChem CID 134421389) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is [5-[2-[6-[2-(aminomethyl)-1H-imidazol-5-yl]naphthalen-2-yl]ethynyl]-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[2-[6-[2-(aminomethyl)-1H-imidazol-5-yl]naphthalen-2-yl]ethynyl]-1H-imidazol-2-yl]methanamine
PubChem CID134421389
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name[5-[2-[6-[2-(aminomethyl)-1H-imidazol-5-yl]naphthalen-2-yl]ethynyl]-1H-imidazol-2-yl]methanamine
SMILESNCc1ncc(C#Cc2ccc3cc(-c4cnc(CN)[nH]4)ccc3c2)[nH]1
InChIInChI=1S/C20H18N6/c21-9-19-23-11-17(25-19)6-2-13-1-3-15-8-16(5-4-14(15)7-13)18-12-24-20(10-22)26-18/h1,3-5,7-8,11-12H,9-10,21-22H2,(H,23,25)(H,24,26)
InChIKeyAMCXOEIODYKJPZ-UHFFFAOYSA-N
XLogP2.27
TPSA109.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1R,3S,5R)-3-[5-[6-[2-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]ethynyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
CID 66982103
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
[5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine
CID 95457106
[5-(3-fluorophenyl)-1H-imidazol-2-yl]methanamine;hydrochloride
CID 157070146
1-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-amine
CID 60842671
N-[(1S)-1-[5-[2-[6-[2-[1-[(4,4-difluorocyclohexanecarbonyl)amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]naphthalen-2-yl]ethynyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4,4-difluorocyclohexane-1-carboxamide
CID 121478221
[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine
CID 82649644
2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]acetonitrile
CID 116880093
[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]methanethiol
CID 116879256
6-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]-1,3-dihydrobenzo[f]benzimidazole-2-thione
CID 134422505
[5-[4-[5-[2-(aminomethyl)-1H-imidazol-5-yl]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]methanamine
CID 134421398
[5-(2-ethyl-1H-imidazol-5-yl)-2-methylphenyl]methanamine
CID 115029246

Frequently Asked Questions

What is the IUPAC name of [5-[2-[6-[2-(aminomethyl)-1H-imidazol-5-yl]naphthalen-2-yl]ethynyl]-1H-imidazol-2-yl]methanamine?
The IUPAC name of [5-[2-[6-[2-(aminomethyl)-1H-imidazol-5-yl]naphthalen-2-yl]ethynyl]-1H-imidazol-2-yl]methanamine (CID 134421389) is [5-[2-[6-[2-(aminomethyl)-1H-imidazol-5-yl]naphthalen-2-yl]ethynyl]-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for [5-[2-[6-[2-(aminomethyl)-1H-imidazol-5-yl]naphthalen-2-yl]ethynyl]-1H-imidazol-2-yl]methanamine?
The canonical SMILES for [5-[2-[6-[2-(aminomethyl)-1H-imidazol-5-yl]naphthalen-2-yl]ethynyl]-1H-imidazol-2-yl]methanamine is NCc1ncc(C#Cc2ccc3cc(-c4cnc(CN)[nH]4)ccc3c2)[nH]1.
What is the InChIKey of [5-[2-[6-[2-(aminomethyl)-1H-imidazol-5-yl]naphthalen-2-yl]ethynyl]-1H-imidazol-2-yl]methanamine?
The InChIKey is AMCXOEIODYKJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c21-9-19-23-11-17(25-19)6-2-13-1-3-15-8-16(5-4-14(15)7-13)18-12-24-20(10-22)26-18/h1,3-5,7-8,11-12H,9-10,21-22H2,(H,23,25)(H,24,26).
What are the key properties of [5-[2-[6-[2-(aminomethyl)-1H-imidazol-5-yl]naphthalen-2-yl]ethynyl]-1H-imidazol-2-yl]methanamine?
[5-[2-[6-[2-(aminomethyl)-1H-imidazol-5-yl]naphthalen-2-yl]ethynyl]-1H-imidazol-2-yl]methanamine has a molecular weight of 342.41 g/mol, XLogP of 2.27, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[6-[2-(aminomethyl)-1H-imidazol-5-yl]naphthalen-2-yl]ethynyl]-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 134421389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).