5-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-phenylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C19H23N5 — CID 56709985

IUPAC5-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-phenylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1[nH]cnc1CN1CCc2[nH]cnc2C1CCc1ccccc1
InChIInChI=1S/C19H23N5/c1-14-17(22-12-20-14)11-24-10-9-16-19(23-13-21-16)18(24)8-7-15-5-3-2-4-6-15/h2-6,12-13,18H,7-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyZZEXALDEQLHXTH-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.17
Rot. Bonds5

About 5-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-phenylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-phenylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 56709985) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 5-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-phenylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-phenylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID56709985
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name5-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-phenylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1[nH]cnc1CN1CCc2[nH]cnc2C1CCc1ccccc1
InChIInChI=1S/C19H23N5/c1-14-17(22-12-20-14)11-24-10-9-16-19(23-13-21-16)18(24)8-7-15-5-3-2-4-6-15/h2-6,12-13,18H,7-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyZZEXALDEQLHXTH-UHFFFAOYSA-N
XLogP3.17
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-phenylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-phenylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 56709985) is 5-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-phenylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-phenylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-phenylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Cc1[nH]cnc1CN1CCc2[nH]cnc2C1CCc1ccccc1.
What is the InChIKey of 5-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-phenylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is ZZEXALDEQLHXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-14-17(22-12-20-14)11-24-10-9-16-19(23-13-21-16)18(24)8-7-15-5-3-2-4-6-15/h2-6,12-13,18H,7-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 5-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-phenylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-phenylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 321.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-phenylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 56709985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).