4-(3-ethenylphenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C21H25N5 — CID 56874476

IUPAC4-(3-ethenylphenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESC=Cc1cccc(C2c3nc[nH]c3CCN2Cc2nccn2C(C)C)c1
InChIInChI=1S/C21H25N5/c1-4-16-6-5-7-17(12-16)21-20-18(23-14-24-20)8-10-25(21)13-19-22-9-11-26(19)15(2)3/h4-7,9,11-12,14-15,21H,1,8,10,13H2,2-3H3,(H,23,24)
InChIKeyPMAAGMOIZQVSFQ-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.98
Rot. Bonds5

About 4-(3-ethenylphenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

4-(3-ethenylphenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 56874476) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 4-(3-ethenylphenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(3-ethenylphenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID56874476
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name4-(3-ethenylphenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESC=Cc1cccc(C2c3nc[nH]c3CCN2Cc2nccn2C(C)C)c1
InChIInChI=1S/C21H25N5/c1-4-16-6-5-7-17(12-16)21-20-18(23-14-24-20)8-10-25(21)13-19-22-9-11-26(19)15(2)3/h4-7,9,11-12,14-15,21H,1,8,10,13H2,2-3H3,(H,23,24)
InChIKeyPMAAGMOIZQVSFQ-UHFFFAOYSA-N
XLogP3.98
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethenylphenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 4-(3-ethenylphenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 56874476) is 4-(3-ethenylphenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(3-ethenylphenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 4-(3-ethenylphenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is C=Cc1cccc(C2c3nc[nH]c3CCN2Cc2nccn2C(C)C)c1.
What is the InChIKey of 4-(3-ethenylphenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is PMAAGMOIZQVSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-4-16-6-5-7-17(12-16)21-20-18(23-14-24-20)8-10-25(21)13-19-22-9-11-26(19)15(2)3/h4-7,9,11-12,14-15,21H,1,8,10,13H2,2-3H3,(H,23,24).
What are the key properties of 4-(3-ethenylphenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
4-(3-ethenylphenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 347.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethenylphenyl)-5-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 56874476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).