N-[2-(3-fluorophenyl)ethyl]-4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide

C25H29FN4O2 — CID 155983106

IUPACN-[2-(3-fluorophenyl)ethyl]-4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C3CCN(C)CC3)[nH]c2C(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C25H29FN4O2/c1-30-14-11-19(12-15-30)24-28-22(18-6-8-21(32-2)9-7-18)23(29-24)25(31)27-13-10-17-4-3-5-20(26)16-17/h3-9,16,19H,10-15H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyDLGQYDKDCGSWDM-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.01
Rot. Bonds7

About N-[2-(3-fluorophenyl)ethyl]-4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide

N-[2-(3-fluorophenyl)ethyl]-4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide (PubChem CID 155983106) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide
PubChem CID155983106
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C3CCN(C)CC3)[nH]c2C(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C25H29FN4O2/c1-30-14-11-19(12-15-30)24-28-22(18-6-8-21(32-2)9-7-18)23(29-24)25(31)27-13-10-17-4-3-5-20(26)16-17/h3-9,16,19H,10-15H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyDLGQYDKDCGSWDM-UHFFFAOYSA-N
XLogP4.01
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-1H-imidazole-5-carboxamide
CID 155983105
2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
CID 92619049
2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide
CID 110092686
N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide
CID 60666342
4-(4-methoxyphenyl)-N-methyl-2-[1-[(2S)-2-phenylpropanoyl]piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 92620301
2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
CID 92619042
5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 107854489
6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 43566561
1-[(3-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898465
6-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800911
1-[2-(3-fluorophenyl)ethyl]-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methylguanidine
CID 111395715
1-ethyl-3-[2-(3-fluorophenyl)ethyl]-2-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 111395721

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide (CID 155983106) is N-[2-(3-fluorophenyl)ethyl]-4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide is COc1ccc(-c2nc(C3CCN(C)CC3)[nH]c2C(=O)NCCc2cccc(F)c2)cc1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide?
The InChIKey is DLGQYDKDCGSWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-30-14-11-19(12-15-30)24-28-22(18-6-8-21(32-2)9-7-18)23(29-24)25(31)27-13-10-17-4-3-5-20(26)16-17/h3-9,16,19H,10-15H2,1-2H3,(H,27,31)(H,28,29).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide?
N-[2-(3-fluorophenyl)ethyl]-4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 155983106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).