(4S)-4-(furan-2-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C19H21N3O2 — CID 95209463

IUPAC(4S)-4-(furan-2-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1ccc(COCCN2CCc3[nH]cnc3[C@H]2c2ccco2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-5-15(6-3-1)13-23-12-10-22-9-8-16-18(21-14-20-16)19(22)17-7-4-11-24-17/h1-7,11,14,19H,8-10,12-13H2,(H,20,21)/t19-/m1/s1
InChIKeyBFPASWOKCDOSGR-LJQANCHMSA-N
MW323.40 g/mol
LogP3.17
Rot. Bonds6

About (4S)-4-(furan-2-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4S)-4-(furan-2-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95209463) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (4S)-4-(furan-2-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4S)-4-(furan-2-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95209463
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(4S)-4-(furan-2-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1ccc(COCCN2CCc3[nH]cnc3[C@H]2c2ccco2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-5-15(6-3-1)13-23-12-10-22-9-8-16-18(21-14-20-16)19(22)17-7-4-11-24-17/h1-7,11,14,19H,8-10,12-13H2,(H,20,21)/t19-/m1/s1
InChIKeyBFPASWOKCDOSGR-LJQANCHMSA-N
XLogP3.17
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-[(4R)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-1,2-oxazole
CID 95867187
5-[(4S)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-phenyl-1,2-oxazole
CID 95896778
4-(furan-2-yl)-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
CID 21330771
5-(2-phenylethyl)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56871437
(4S)-5-(2-phenylethyl)-4-(3-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95545462
4-(2-phenylmethoxyethyl)-1,4-diazabicyclo[3.2.2]nonane
CID 11436891
(4S)-5-(furan-2-ylmethyl)-4-(1-pyridin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95220026
4-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56718192
5-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56708230
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
4-[(4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]quinoline
CID 56722339
benzyl 1-(furan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 166559307

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(furan-2-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4S)-4-(furan-2-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95209463) is (4S)-4-(furan-2-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4S)-4-(furan-2-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4S)-4-(furan-2-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is c1ccc(COCCN2CCc3[nH]cnc3[C@H]2c2ccco2)cc1.
What is the InChIKey of (4S)-4-(furan-2-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is BFPASWOKCDOSGR-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-5-15(6-3-1)13-23-12-10-22-9-8-16-18(21-14-20-16)19(22)17-7-4-11-24-17/h1-7,11,14,19H,8-10,12-13H2,(H,20,21)/t19-/m1/s1.
What are the key properties of (4S)-4-(furan-2-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4S)-4-(furan-2-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 323.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(furan-2-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95209463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).