4-(1H-imidazol-2-yl)-1,4-dihydropyridine

C8H9N3 — CID 70410241

IUPAC4-(1H-imidazol-2-yl)-1,4-dihydropyridine
SMILESC1=CC(c2ncc[nH]2)C=CN1
InChIInChI=1S/C8H9N3/c1-3-9-4-2-7(1)8-10-5-6-11-8/h1-7,9H,(H,10,11)
InChIKeyRDYWIVQYOOZSKZ-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.12
Rot. Bonds1

About 4-(1H-imidazol-2-yl)-1,4-dihydropyridine

4-(1H-imidazol-2-yl)-1,4-dihydropyridine (PubChem CID 70410241) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-1,4-dihydropyridine.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-1,4-dihydropyridine
PubChem CID70410241
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name4-(1H-imidazol-2-yl)-1,4-dihydropyridine
SMILESC1=CC(c2ncc[nH]2)C=CN1
InChIInChI=1S/C8H9N3/c1-3-9-4-2-7(1)8-10-5-6-11-8/h1-7,9H,(H,10,11)
InChIKeyRDYWIVQYOOZSKZ-UHFFFAOYSA-N
XLogP1.12
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-1,4-dihydropyridine?
The IUPAC name of 4-(1H-imidazol-2-yl)-1,4-dihydropyridine (CID 70410241) is 4-(1H-imidazol-2-yl)-1,4-dihydropyridine.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-1,4-dihydropyridine?
The canonical SMILES for 4-(1H-imidazol-2-yl)-1,4-dihydropyridine is C1=CC(c2ncc[nH]2)C=CN1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-1,4-dihydropyridine?
The InChIKey is RDYWIVQYOOZSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-3-9-4-2-7(1)8-10-5-6-11-8/h1-7,9H,(H,10,11).
What are the key properties of 4-(1H-imidazol-2-yl)-1,4-dihydropyridine?
4-(1H-imidazol-2-yl)-1,4-dihydropyridine has a molecular weight of 147.18 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-1,4-dihydropyridine is sourced from PubChem (CID 70410241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).