[4-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol

C22H25N3O — CID 110027649

IUPAC[4-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol
SMILESOCc1ccc(CN2CCc3c(ncn3CCc3ccccc3)C2)cc1
InChIInChI=1S/C22H25N3O/c26-16-20-8-6-19(7-9-20)14-24-12-11-22-21(15-24)23-17-25(22)13-10-18-4-2-1-3-5-18/h1-9,17,26H,10-16H2
InChIKeyVPLOCIDVJBYLET-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.18
Rot. Bonds6

About [4-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol

[4-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol (PubChem CID 110027649) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is [4-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol
PubChem CID110027649
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name[4-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol
SMILESOCc1ccc(CN2CCc3c(ncn3CCc3ccccc3)C2)cc1
InChIInChI=1S/C22H25N3O/c26-16-20-8-6-19(7-9-20)14-24-12-11-22-21(15-24)23-17-25(22)13-10-18-4-2-1-3-5-18/h1-9,17,26H,10-16H2
InChIKeyVPLOCIDVJBYLET-UHFFFAOYSA-N
XLogP3.18
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol (CID 110027649) is [4-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol is OCc1ccc(CN2CCc3c(ncn3CCc3ccccc3)C2)cc1.
What is the InChIKey of [4-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol?
The InChIKey is VPLOCIDVJBYLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c26-16-20-8-6-19(7-9-20)14-24-12-11-22-21(15-24)23-17-25(22)13-10-18-4-2-1-3-5-18/h1-9,17,26H,10-16H2.
What are the key properties of [4-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol?
[4-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol has a molecular weight of 347.46 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol is sourced from PubChem (CID 110027649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).