5-[(1-ethylimidazol-2-yl)methyl]-4-(5-ethyl-2-pyridinyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C19H24N6 — CID 56878086

IUPAC5-[(1-ethylimidazol-2-yl)methyl]-4-(5-ethyl-2-pyridinyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1ccc(C2c3nc[nH]c3CCN2Cc2nccn2CC)nc1
InChIInChI=1S/C19H24N6/c1-3-14-5-6-16(21-11-14)19-18-15(22-13-23-18)7-9-25(19)12-17-20-8-10-24(17)4-2/h5-6,8,10-11,13,19H,3-4,7,9,12H2,1-2H3,(H,22,23)
InChIKeyPHZQKGBCFUAFGY-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.73
Rot. Bonds5

About 5-[(1-ethylimidazol-2-yl)methyl]-4-(5-ethyl-2-pyridinyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-[(1-ethylimidazol-2-yl)methyl]-4-(5-ethyl-2-pyridinyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 56878086) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-[(1-ethylimidazol-2-yl)methyl]-4-(5-ethyl-2-pyridinyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(1-ethylimidazol-2-yl)methyl]-4-(5-ethyl-2-pyridinyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID56878086
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name5-[(1-ethylimidazol-2-yl)methyl]-4-(5-ethyl-2-pyridinyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1ccc(C2c3nc[nH]c3CCN2Cc2nccn2CC)nc1
InChIInChI=1S/C19H24N6/c1-3-14-5-6-16(21-11-14)19-18-15(22-13-23-18)7-9-25(19)12-17-20-8-10-24(17)4-2/h5-6,8,10-11,13,19H,3-4,7,9,12H2,1-2H3,(H,22,23)
InChIKeyPHZQKGBCFUAFGY-UHFFFAOYSA-N
XLogP2.73
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylimidazol-2-yl)methyl]-4-(5-ethyl-2-pyridinyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-[(1-ethylimidazol-2-yl)methyl]-4-(5-ethyl-2-pyridinyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 56878086) is 5-[(1-ethylimidazol-2-yl)methyl]-4-(5-ethyl-2-pyridinyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(1-ethylimidazol-2-yl)methyl]-4-(5-ethyl-2-pyridinyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(1-ethylimidazol-2-yl)methyl]-4-(5-ethyl-2-pyridinyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCc1ccc(C2c3nc[nH]c3CCN2Cc2nccn2CC)nc1.
What is the InChIKey of 5-[(1-ethylimidazol-2-yl)methyl]-4-(5-ethyl-2-pyridinyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is PHZQKGBCFUAFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-3-14-5-6-16(21-11-14)19-18-15(22-13-23-18)7-9-25(19)12-17-20-8-10-24(17)4-2/h5-6,8,10-11,13,19H,3-4,7,9,12H2,1-2H3,(H,22,23).
What are the key properties of 5-[(1-ethylimidazol-2-yl)methyl]-4-(5-ethyl-2-pyridinyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-[(1-ethylimidazol-2-yl)methyl]-4-(5-ethyl-2-pyridinyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 336.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylimidazol-2-yl)methyl]-4-(5-ethyl-2-pyridinyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 56878086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).