2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide

C26H32N4O3 — CID 92619049

IUPAC2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
SMILESCNC(=O)c1[nH]c(C2CCN(Cc3cccc(C)c3OC)CC2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C26H32N4O3/c1-17-6-5-7-20(24(17)33-4)16-30-14-12-19(13-15-30)25-28-22(23(29-25)26(31)27-2)18-8-10-21(32-3)11-9-18/h5-11,19H,12-16H2,1-4H3,(H,27,31)(H,28,29)
InChIKeyMPMBZJLBMNEXMO-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.14
Rot. Bonds7

About 2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide

2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide (PubChem CID 92619049) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
PubChem CID92619049
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
SMILESCNC(=O)c1[nH]c(C2CCN(Cc3cccc(C)c3OC)CC2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C26H32N4O3/c1-17-6-5-7-20(24(17)33-4)16-30-14-12-19(13-15-30)25-28-22(23(29-25)26(31)27-2)18-8-10-21(32-3)11-9-18/h5-11,19H,12-16H2,1-4H3,(H,27,31)(H,28,29)
InChIKeyMPMBZJLBMNEXMO-UHFFFAOYSA-N
XLogP4.14
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
CID 92619042
4-(4-fluorophenyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-1H-imidazole-5-carboxamide
CID 155983105
4-(4-methoxyphenyl)-N-methyl-2-[1-[(2S)-2-phenylpropanoyl]piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 92620301
2-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-4-(4-fluorophenyl)-N-methyl-1H-imidazole-5-carboxamide
CID 110092685
N-[2-(3-fluorophenyl)ethyl]-4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide
CID 155983106
2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide
CID 110092686
1-[(2-methoxy-3-methylphenyl)methyl]-4-methylpiperidine
CID 142233666
4-(4-fluorophenyl)-N-methyl-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 110092665
2-[3-[(3S)-1-[(2-methoxy-3-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethanamine
CID 92561368
2-[2-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 56910309
4-(4-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
CID 110092743
(3R)-1-[[2-(4-methoxyphenyl)-8-methylquinolin-3-yl]methyl]pyrrolidin-3-ol
CID 70742319

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide (CID 92619049) is 2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide is CNC(=O)c1[nH]c(C2CCN(Cc3cccc(C)c3OC)CC2)nc1-c1ccc(OC)cc1.
What is the InChIKey of 2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide?
The InChIKey is MPMBZJLBMNEXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-17-6-5-7-20(24(17)33-4)16-30-14-12-19(13-15-30)25-28-22(23(29-25)26(31)27-2)18-8-10-21(32-3)11-9-18/h5-11,19H,12-16H2,1-4H3,(H,27,31)(H,28,29).
What are the key properties of 2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide?
2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 92619049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).