1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]hex-5-en-2-ol

C20H27N3O — CID 110027663

IUPAC1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]hex-5-en-2-ol
SMILESC=CCCC(O)CN1CCc2c(ncn2CCc2ccccc2)C1
InChIInChI=1S/C20H27N3O/c1-2-3-9-18(24)14-22-12-11-20-19(15-22)21-16-23(20)13-10-17-7-5-4-6-8-17/h2,4-8,16,18,24H,1,3,9-15H2
InChIKeyCIFUQWBHRRDDGF-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.81
Rot. Bonds8

About 1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]hex-5-en-2-ol

1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]hex-5-en-2-ol (PubChem CID 110027663) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]hex-5-en-2-ol.

Molecular Properties

Compound Name1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]hex-5-en-2-ol
PubChem CID110027663
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]hex-5-en-2-ol
SMILESC=CCCC(O)CN1CCc2c(ncn2CCc2ccccc2)C1
InChIInChI=1S/C20H27N3O/c1-2-3-9-18(24)14-22-12-11-20-19(15-22)21-16-23(20)13-10-17-7-5-4-6-8-17/h2,4-8,16,18,24H,1,3,9-15H2
InChIKeyCIFUQWBHRRDDGF-UHFFFAOYSA-N
XLogP2.81
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]hex-5-en-2-ol with MolForge

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Related Compounds

1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)hex-5-en-2-ol
CID 139010761
2-methyl-5-[[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole
CID 75475861
N,N-diethyl-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 75519055
5-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 75451706
(2-hydroxycyclopentyl)-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 110016711
[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 84594145
(2S)-1-phenylhex-5-en-2-ol
CID 102339258
4-chloro-2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]benzonitrile
CID 133452443
5-(3-fluoro-2-nitrophenyl)-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 133452461
4-phenyl-1-piperidin-1-ylbutan-2-ol
CID 57323966
[2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]quinolin-3-yl]methanol
CID 133452605
3-(3-but-3-ynyldiazirin-3-yl)-1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 166417935

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]hex-5-en-2-ol?
The IUPAC name of 1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]hex-5-en-2-ol (CID 110027663) is 1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]hex-5-en-2-ol.
What is the SMILES notation for 1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]hex-5-en-2-ol?
The canonical SMILES for 1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]hex-5-en-2-ol is C=CCCC(O)CN1CCc2c(ncn2CCc2ccccc2)C1.
What is the InChIKey of 1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]hex-5-en-2-ol?
The InChIKey is CIFUQWBHRRDDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-2-3-9-18(24)14-22-12-11-20-19(15-22)21-16-23(20)13-10-17-7-5-4-6-8-17/h2,4-8,16,18,24H,1,3,9-15H2.
What are the key properties of 1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]hex-5-en-2-ol?
1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]hex-5-en-2-ol has a molecular weight of 325.46 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]hex-5-en-2-ol is sourced from PubChem (CID 110027663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).