N,N-dimethyl-4-(5-naphthalen-1-yl-4-pyridin-4-yl-1H-imidazol-2-yl)aniline

C26H22N4 — CID 11234693

IUPACN,N-dimethyl-4-(5-naphthalen-1-yl-4-pyridin-4-yl-1H-imidazol-2-yl)aniline
SMILESCN(C)c1ccc(-c2nc(-c3ccncc3)c(-c3cccc4ccccc34)[nH]2)cc1
InChIInChI=1S/C26H22N4/c1-30(2)21-12-10-20(11-13-21)26-28-24(19-14-16-27-17-15-19)25(29-26)23-9-5-7-18-6-3-4-8-22(18)23/h3-17H,1-2H3,(H,28,29)
InChIKeyJMMIIHVLFCZWJS-UHFFFAOYSA-N
MW390.49 g/mol
LogP6.02
Rot. Bonds4

About N,N-dimethyl-4-(5-naphthalen-1-yl-4-pyridin-4-yl-1H-imidazol-2-yl)aniline

N,N-dimethyl-4-(5-naphthalen-1-yl-4-pyridin-4-yl-1H-imidazol-2-yl)aniline (PubChem CID 11234693) has the molecular formula C26H22N4 and a molecular weight of 390.49 g/mol. Its IUPAC name is N,N-dimethyl-4-(5-naphthalen-1-yl-4-pyridin-4-yl-1H-imidazol-2-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(5-naphthalen-1-yl-4-pyridin-4-yl-1H-imidazol-2-yl)aniline
PubChem CID11234693
Molecular FormulaC26H22N4
Molecular Weight390.49 g/mol
Exact Mass390.18
IUPAC NameN,N-dimethyl-4-(5-naphthalen-1-yl-4-pyridin-4-yl-1H-imidazol-2-yl)aniline
SMILESCN(C)c1ccc(-c2nc(-c3ccncc3)c(-c3cccc4ccccc34)[nH]2)cc1
InChIInChI=1S/C26H22N4/c1-30(2)21-12-10-20(11-13-21)26-28-24(19-14-16-27-17-15-19)25(29-26)23-9-5-7-18-6-3-4-8-22(18)23/h3-17H,1-2H3,(H,28,29)
InChIKeyJMMIIHVLFCZWJS-UHFFFAOYSA-N
XLogP6.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(5-naphthalen-1-yl-4-pyridin-4-yl-1H-imidazol-2-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(5-naphthalen-1-yl-4-pyridin-4-yl-1H-imidazol-2-yl)aniline (CID 11234693) is N,N-dimethyl-4-(5-naphthalen-1-yl-4-pyridin-4-yl-1H-imidazol-2-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(5-naphthalen-1-yl-4-pyridin-4-yl-1H-imidazol-2-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(5-naphthalen-1-yl-4-pyridin-4-yl-1H-imidazol-2-yl)aniline is CN(C)c1ccc(-c2nc(-c3ccncc3)c(-c3cccc4ccccc34)[nH]2)cc1.
What is the InChIKey of N,N-dimethyl-4-(5-naphthalen-1-yl-4-pyridin-4-yl-1H-imidazol-2-yl)aniline?
The InChIKey is JMMIIHVLFCZWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4/c1-30(2)21-12-10-20(11-13-21)26-28-24(19-14-16-27-17-15-19)25(29-26)23-9-5-7-18-6-3-4-8-22(18)23/h3-17H,1-2H3,(H,28,29).
What are the key properties of N,N-dimethyl-4-(5-naphthalen-1-yl-4-pyridin-4-yl-1H-imidazol-2-yl)aniline?
N,N-dimethyl-4-(5-naphthalen-1-yl-4-pyridin-4-yl-1H-imidazol-2-yl)aniline has a molecular weight of 390.49 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(5-naphthalen-1-yl-4-pyridin-4-yl-1H-imidazol-2-yl)aniline is sourced from PubChem (CID 11234693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).