3-[5-[(2-cyclohexylpiperidin-1-yl)methyl]-2-(2,6-diethylphenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine

C33H46N4O — CID 58669684

IUPAC3-[5-[(2-cyclohexylpiperidin-1-yl)methyl]-2-(2,6-diethylphenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine
SMILESCCc1cccc(CC)c1-c1nc(-c2cccnc2)c(CN2CCCCC2C2CCCCC2)n1CCOC
InChIInChI=1S/C33H46N4O/c1-4-25-15-11-16-26(5-2)31(25)33-35-32(28-17-12-19-34-23-28)30(37(33)21-22-38-3)24-36-20-10-9-18-29(36)27-13-7-6-8-14-27/h11-12,15-17,19,23,27,29H,4-10,13-14,18,20-22,24H2,1-3H3
InChIKeyVXICWXWCKKOUGZ-UHFFFAOYSA-N
MW514.76 g/mol
LogP7.32
Rot. Bonds10

About 3-[5-[(2-cyclohexylpiperidin-1-yl)methyl]-2-(2,6-diethylphenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine

3-[5-[(2-cyclohexylpiperidin-1-yl)methyl]-2-(2,6-diethylphenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine (PubChem CID 58669684) has the molecular formula C33H46N4O and a molecular weight of 514.76 g/mol. Its IUPAC name is 3-[5-[(2-cyclohexylpiperidin-1-yl)methyl]-2-(2,6-diethylphenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[5-[(2-cyclohexylpiperidin-1-yl)methyl]-2-(2,6-diethylphenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine
PubChem CID58669684
Molecular FormulaC33H46N4O
Molecular Weight514.76 g/mol
Exact Mass514.37
IUPAC Name3-[5-[(2-cyclohexylpiperidin-1-yl)methyl]-2-(2,6-diethylphenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine
SMILESCCc1cccc(CC)c1-c1nc(-c2cccnc2)c(CN2CCCCC2C2CCCCC2)n1CCOC
InChIInChI=1S/C33H46N4O/c1-4-25-15-11-16-26(5-2)31(25)33-35-32(28-17-12-19-34-23-28)30(37(33)21-22-38-3)24-36-20-10-9-18-29(36)27-13-7-6-8-14-27/h11-12,15-17,19,23,27,29H,4-10,13-14,18,20-22,24H2,1-3H3
InChIKeyVXICWXWCKKOUGZ-UHFFFAOYSA-N
XLogP7.32
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.76
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[5-[(2-cyclohexylpiperidin-1-yl)methyl]-2-(2,6-diethylphenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine with MolForge

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Related Compounds

L-790070
CID 9806182
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 9800117
SB-210313
CID 9885504
{4-[3-Methyl-2-piperidin-4-yl-5-(3-trifluoromethyl-phenyl)-3H-imidazol-4-yl]-pyrimidin-2-yl}-((R)-1-phenyl-ethyl)-amine
CID 656907
4-(2-(4-Fluorophenyl)-7-{[(2-methoxyethyl)methylamino] methyl}imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamine
CID 24887881
4-[[4-(2-Methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine
CID 146315950
4-[2-[(1-Methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-yl]morpholine
CID 71203902
(1E)-5-{2-[1-(2-methoxyethyl)piperidin-4-yl]-5-(pyridin-4-yl)-1H-imidazol-4-yl}-2,3-dihydro-1H-indene-1-hydroxylamine
CID 91203188
(S)-3-(2-(1-methoxypropan-2-ylamino)pyridin-4-yl)-2-phenylimidazo[1,2-a]pyrimidin-7-amine
CID 44344609
2-[ethyl-[[2-(4-fluorophenyl)-3-[2-[(1S)-1-phenylethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]amino]ethanol
CID 44419904
2-[[2-(4-fluorophenyl)-3-[2-[(1S)-1-phenylethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol
CID 44419905

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-cyclohexylpiperidin-1-yl)methyl]-2-(2,6-diethylphenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine?
The IUPAC name of 3-[5-[(2-cyclohexylpiperidin-1-yl)methyl]-2-(2,6-diethylphenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine (CID 58669684) is 3-[5-[(2-cyclohexylpiperidin-1-yl)methyl]-2-(2,6-diethylphenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 3-[5-[(2-cyclohexylpiperidin-1-yl)methyl]-2-(2,6-diethylphenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine?
The canonical SMILES for 3-[5-[(2-cyclohexylpiperidin-1-yl)methyl]-2-(2,6-diethylphenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine is CCc1cccc(CC)c1-c1nc(-c2cccnc2)c(CN2CCCCC2C2CCCCC2)n1CCOC.
What is the InChIKey of 3-[5-[(2-cyclohexylpiperidin-1-yl)methyl]-2-(2,6-diethylphenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine?
The InChIKey is VXICWXWCKKOUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N4O/c1-4-25-15-11-16-26(5-2)31(25)33-35-32(28-17-12-19-34-23-28)30(37(33)21-22-38-3)24-36-20-10-9-18-29(36)27-13-7-6-8-14-27/h11-12,15-17,19,23,27,29H,4-10,13-14,18,20-22,24H2,1-3H3.
What are the key properties of 3-[5-[(2-cyclohexylpiperidin-1-yl)methyl]-2-(2,6-diethylphenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine?
3-[5-[(2-cyclohexylpiperidin-1-yl)methyl]-2-(2,6-diethylphenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine has a molecular weight of 514.76 g/mol, XLogP of 7.32, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-cyclohexylpiperidin-1-yl)methyl]-2-(2,6-diethylphenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 58669684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).