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

C21H21N5O2 — CID 95205451

IUPAC(4S)-4-(furan-2-yl)-5-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOc1ccc(-n2ccnc2CN2CCc3[nH]cnc3[C@H]2c2ccco2)cc1
InChIInChI=1S/C21H21N5O2/c1-27-16-6-4-15(5-7-16)26-11-9-22-19(26)13-25-10-8-17-20(24-14-23-17)21(25)18-3-2-12-28-18/h2-7,9,11-12,14,21H,8,10,13H2,1H3,(H,23,24)/t21-/m1/s1
InChIKeyXGQQBOINQFXLLF-OAQYLSRUSA-N
MW375.43 g/mol
LogP3.34
Rot. Bonds5

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

(4S)-4-(furan-2-yl)-5-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95205451) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is (4S)-4-(furan-2-yl)-5-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4S)-4-(furan-2-yl)-5-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95205451
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name(4S)-4-(furan-2-yl)-5-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOc1ccc(-n2ccnc2CN2CCc3[nH]cnc3[C@H]2c2ccco2)cc1
InChIInChI=1S/C21H21N5O2/c1-27-16-6-4-15(5-7-16)26-11-9-22-19(26)13-25-10-8-17-20(24-14-23-17)21(25)18-3-2-12-28-18/h2-7,9,11-12,14,21H,8,10,13H2,1H3,(H,23,24)/t21-/m1/s1
InChIKeyXGQQBOINQFXLLF-OAQYLSRUSA-N
XLogP3.34
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-4-(furan-2-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95209463
(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
4-(furan-2-yl)-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
CID 21330771
4-[(4R)-5-[(1-propylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline
CID 95197850
(6S,7R)-8-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-7-methyl-2,8-diazaspiro[5.5]undecan-1-one
CID 155915223
5-[(4S)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-3-phenyl-1,2-oxazole
CID 95896778
3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 74249928
(4R)-5-[(6-methoxy-2H-chromen-3-yl)methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95191750
(3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol
CID 131948750
5-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 134695544
(4R)-5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95198936

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(furan-2-yl)-5-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4S)-4-(furan-2-yl)-5-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95205451) is (4S)-4-(furan-2-yl)-5-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4S)-4-(furan-2-yl)-5-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4S)-4-(furan-2-yl)-5-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is COc1ccc(-n2ccnc2CN2CCc3[nH]cnc3[C@H]2c2ccco2)cc1.
What is the InChIKey of (4S)-4-(furan-2-yl)-5-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is XGQQBOINQFXLLF-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-27-16-6-4-15(5-7-16)26-11-9-22-19(26)13-25-10-8-17-20(24-14-23-17)21(25)18-3-2-12-28-18/h2-7,9,11-12,14,21H,8,10,13H2,1H3,(H,23,24)/t21-/m1/s1.
What are the key properties of (4S)-4-(furan-2-yl)-5-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4S)-4-(furan-2-yl)-5-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 375.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(furan-2-yl)-5-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95205451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).