2-[5-[(1-ethenylcyclohexa-2,4-dien-1-yl)methyl]-1H-imidazol-2-yl]pyridine

C17H17N3 — CID 67775617

IUPAC2-[5-[(1-ethenylcyclohexa-2,4-dien-1-yl)methyl]-1H-imidazol-2-yl]pyridine
SMILESC=CC1(Cc2cnc(-c3ccccn3)[nH]2)C=CC=CC1
InChIInChI=1S/C17H17N3/c1-2-17(9-5-3-6-10-17)12-14-13-19-16(20-14)15-8-4-7-11-18-15/h2-9,11,13H,1,10,12H2,(H,19,20)
InChIKeyFIJCQKSQMAXFKR-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.70
Rot. Bonds4

About 2-[5-[(1-ethenylcyclohexa-2,4-dien-1-yl)methyl]-1H-imidazol-2-yl]pyridine

2-[5-[(1-ethenylcyclohexa-2,4-dien-1-yl)methyl]-1H-imidazol-2-yl]pyridine (PubChem CID 67775617) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[5-[(1-ethenylcyclohexa-2,4-dien-1-yl)methyl]-1H-imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-[5-[(1-ethenylcyclohexa-2,4-dien-1-yl)methyl]-1H-imidazol-2-yl]pyridine
PubChem CID67775617
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-[5-[(1-ethenylcyclohexa-2,4-dien-1-yl)methyl]-1H-imidazol-2-yl]pyridine
SMILESC=CC1(Cc2cnc(-c3ccccn3)[nH]2)C=CC=CC1
InChIInChI=1S/C17H17N3/c1-2-17(9-5-3-6-10-17)12-14-13-19-16(20-14)15-8-4-7-11-18-15/h2-9,11,13H,1,10,12H2,(H,19,20)
InChIKeyFIJCQKSQMAXFKR-UHFFFAOYSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-prop-2-enyl-1H-imidazol-2-yl)pyridine
CID 70153012
N-[(2-pyridin-2-yl-1H-imidazol-5-yl)methyl]cyclopropanamine
CID 63108999
[2-(1-ethenylcyclohexa-2,4-dien-1-yl)-1-phenylethyl]benzene
CID 175202770
2-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]pyridine
CID 175315625
pyrrolo[3,2-b]azepine
CID 66934182
CID 176706705
CID 176706705
2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292186
1-(1-prop-2-enylcyclohexa-2,4-dien-1-yl)isoquinoline
CID 174464915
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
5-cyclopropyl-2-pyridin-2-yl-1H-imidazole-4-carboxylic acid
CID 82373746
7,7-dimethyl-2-pyridin-2-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 72925991
5-ethyl-2-pyridin-2-yl-1H-imidazol-4-ol
CID 137263617

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1-ethenylcyclohexa-2,4-dien-1-yl)methyl]-1H-imidazol-2-yl]pyridine?
The IUPAC name of 2-[5-[(1-ethenylcyclohexa-2,4-dien-1-yl)methyl]-1H-imidazol-2-yl]pyridine (CID 67775617) is 2-[5-[(1-ethenylcyclohexa-2,4-dien-1-yl)methyl]-1H-imidazol-2-yl]pyridine.
What is the SMILES notation for 2-[5-[(1-ethenylcyclohexa-2,4-dien-1-yl)methyl]-1H-imidazol-2-yl]pyridine?
The canonical SMILES for 2-[5-[(1-ethenylcyclohexa-2,4-dien-1-yl)methyl]-1H-imidazol-2-yl]pyridine is C=CC1(Cc2cnc(-c3ccccn3)[nH]2)C=CC=CC1.
What is the InChIKey of 2-[5-[(1-ethenylcyclohexa-2,4-dien-1-yl)methyl]-1H-imidazol-2-yl]pyridine?
The InChIKey is FIJCQKSQMAXFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-17(9-5-3-6-10-17)12-14-13-19-16(20-14)15-8-4-7-11-18-15/h2-9,11,13H,1,10,12H2,(H,19,20).
What are the key properties of 2-[5-[(1-ethenylcyclohexa-2,4-dien-1-yl)methyl]-1H-imidazol-2-yl]pyridine?
2-[5-[(1-ethenylcyclohexa-2,4-dien-1-yl)methyl]-1H-imidazol-2-yl]pyridine has a molecular weight of 263.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1-ethenylcyclohexa-2,4-dien-1-yl)methyl]-1H-imidazol-2-yl]pyridine is sourced from PubChem (CID 67775617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).