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

C20H25N5 — CID 56871437

IUPAC5-(2-phenylethyl)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCn1ccnc1C1c2nc[nH]c2CCN1CCc1ccccc1
InChIInChI=1S/C20H25N5/c1-2-11-25-14-10-21-20(25)19-18-17(22-15-23-18)9-13-24(19)12-8-16-6-4-3-5-7-16/h3-7,10,14-15,19H,2,8-9,11-13H2,1H3,(H,22,23)
InChIKeyKGFOJZRNTJVKQS-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.21
Rot. Bonds6

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

5-(2-phenylethyl)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 56871437) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is 5-(2-phenylethyl)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(2-phenylethyl)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID56871437
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC Name5-(2-phenylethyl)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCn1ccnc1C1c2nc[nH]c2CCN1CCc1ccccc1
InChIInChI=1S/C20H25N5/c1-2-11-25-14-10-21-20(25)19-18-17(22-15-23-18)9-13-24(19)12-8-16-6-4-3-5-7-16/h3-7,10,14-15,19H,2,8-9,11-13H2,1H3,(H,22,23)
InChIKeyKGFOJZRNTJVKQS-UHFFFAOYSA-N
XLogP3.21
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-5-[(3-methylthiophen-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95871567
5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 70774122
5-[(4,5-dimethylfuran-2-yl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 70782242
(4S)-5-(2-phenylethyl)-4-(3-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95545462
4-[(4R)-5-[(1-propylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline
CID 95197850
3-methyl-5-[2-[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 124906882
(4R)-5-[(1-ethylimidazol-2-yl)methyl]-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95196713
(4S)-4-(furan-2-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95209463
5-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-phenylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56709985
5-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56708230
5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56720073
(4R)-5-[(3-pyridin-2-ylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95867307

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-(2-phenylethyl)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 56871437) is 5-(2-phenylethyl)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(2-phenylethyl)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-(2-phenylethyl)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCCn1ccnc1C1c2nc[nH]c2CCN1CCc1ccccc1.
What is the InChIKey of 5-(2-phenylethyl)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is KGFOJZRNTJVKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-2-11-25-14-10-21-20(25)19-18-17(22-15-23-18)9-13-24(19)12-8-16-6-4-3-5-7-16/h3-7,10,14-15,19H,2,8-9,11-13H2,1H3,(H,22,23).
What are the key properties of 5-(2-phenylethyl)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-(2-phenylethyl)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 335.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 56871437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).