[2-ethoxy-5-[[(4R)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol

C18H25N3O2 — CID 95223742

IUPAC[2-ethoxy-5-[[(4R)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol
SMILESCCOc1ccc(CN2CCc3[nH]cnc3[C@H]2CC)cc1CO
InChIInChI=1S/C18H25N3O2/c1-3-16-18-15(19-12-20-18)7-8-21(16)10-13-5-6-17(23-4-2)14(9-13)11-22/h5-6,9,12,16,22H,3-4,7-8,10-11H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyFCBMRKCHHAHDAM-MRXNPFEDSA-N
MW315.42 g/mol
LogP2.81
Rot. Bonds6

About [2-ethoxy-5-[[(4R)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol

[2-ethoxy-5-[[(4R)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol (PubChem CID 95223742) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is [2-ethoxy-5-[[(4R)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-[[(4R)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol
PubChem CID95223742
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name[2-ethoxy-5-[[(4R)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol
SMILESCCOc1ccc(CN2CCc3[nH]cnc3[C@H]2CC)cc1CO
InChIInChI=1S/C18H25N3O2/c1-3-16-18-15(19-12-20-18)7-8-21(16)10-13-5-6-17(23-4-2)14(9-13)11-22/h5-6,9,12,16,22H,3-4,7-8,10-11H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyFCBMRKCHHAHDAM-MRXNPFEDSA-N
XLogP2.81
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-ethoxy-5-[[(4R)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol with MolForge

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Related Compounds

4-[[(4S)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-N-methylbenzenesulfonamide
CID 95213149
[2-ethoxy-5-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]methanol
CID 77082765
[2-ethoxy-5-[[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 124981234
1-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 137339902
2-ethoxy-4-[5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
CID 56715566
[2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol
CID 125014646
[5-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-ethoxyphenyl]methanol
CID 74233620
(4R)-4-(2,2-dimethylpropyl)-5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95861990
4-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-2-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136881742
4-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56718192
4-[(4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]quinoline
CID 56722339
4-ethyl-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
CID 21330764

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[[(4R)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol?
The IUPAC name of [2-ethoxy-5-[[(4R)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol (CID 95223742) is [2-ethoxy-5-[[(4R)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-[[(4R)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-[[(4R)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol is CCOc1ccc(CN2CCc3[nH]cnc3[C@H]2CC)cc1CO.
What is the InChIKey of [2-ethoxy-5-[[(4R)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol?
The InChIKey is FCBMRKCHHAHDAM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-16-18-15(19-12-20-18)7-8-21(16)10-13-5-6-17(23-4-2)14(9-13)11-22/h5-6,9,12,16,22H,3-4,7-8,10-11H2,1-2H3,(H,19,20)/t16-/m1/s1.
What are the key properties of [2-ethoxy-5-[[(4R)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol?
[2-ethoxy-5-[[(4R)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol has a molecular weight of 315.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[[(4R)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol is sourced from PubChem (CID 95223742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).