3-ethyl-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylimidazole-4-carboxamide;molecular hydrogen

C28H30FN3O2 — CID 161037004

IUPAC3-ethyl-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylimidazole-4-carboxamide;molecular hydrogen
SMILESCCn1c(-c2ccccc2)nc(-c2ccc(F)c(C)c2)c1C(=O)N[C@H](C)c1cccc(OC)c1.[H][H]
InChIInChI=1S/C28H28FN3O2.H2/c1-5-32-26(28(33)30-19(3)21-12-9-13-23(17-21)34-4)25(22-14-15-24(29)18(2)16-22)31-27(32)20-10-7-6-8-11-20;/h6-17,19H,5H2,1-4H3,(H,30,33);1H/t19-;/m1./s1
InChIKeyUAJPAYUEDCGZMY-FSRHSHDFSA-N
MW459.57 g/mol
LogP6.43
Rot. Bonds7

About 3-ethyl-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylimidazole-4-carboxamide;molecular hydrogen

3-ethyl-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylimidazole-4-carboxamide;molecular hydrogen (PubChem CID 161037004) has the molecular formula C28H30FN3O2 and a molecular weight of 459.57 g/mol. Its IUPAC name is 3-ethyl-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylimidazole-4-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name3-ethyl-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylimidazole-4-carboxamide;molecular hydrogen
PubChem CID161037004
Molecular FormulaC28H30FN3O2
Molecular Weight459.57 g/mol
Exact Mass459.23
IUPAC Name3-ethyl-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylimidazole-4-carboxamide;molecular hydrogen
SMILESCCn1c(-c2ccccc2)nc(-c2ccc(F)c(C)c2)c1C(=O)N[C@H](C)c1cccc(OC)c1.[H][H]
InChIInChI=1S/C28H28FN3O2.H2/c1-5-32-26(28(33)30-19(3)21-12-9-13-23(17-21)34-4)25(22-14-15-24(29)18(2)16-22)31-27(32)20-10-7-6-8-11-20;/h6-17,19H,5H2,1-4H3,(H,30,33);1H/t19-;/m1./s1
InChIKeyUAJPAYUEDCGZMY-FSRHSHDFSA-N
XLogP6.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethane;3-ethyl-2-phenyl-N-(1-phenylpropyl)-5-(4-propoxyphenyl)imidazole-4-carboxamide
CID 143076233
6-(3-methoxyphenyl)-1,1-dioxo-N-[(1S)-1-phenylethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 97047572
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CID 51368703
2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]acetamide
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3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 115645750
2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 42563597
4-amino-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 65356173
4-chloro-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylimidazole-4-carboxamide;molecular hydrogen?
The IUPAC name of 3-ethyl-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylimidazole-4-carboxamide;molecular hydrogen (CID 161037004) is 3-ethyl-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylimidazole-4-carboxamide;molecular hydrogen.
What is the SMILES notation for 3-ethyl-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylimidazole-4-carboxamide;molecular hydrogen?
The canonical SMILES for 3-ethyl-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylimidazole-4-carboxamide;molecular hydrogen is CCn1c(-c2ccccc2)nc(-c2ccc(F)c(C)c2)c1C(=O)N[C@H](C)c1cccc(OC)c1.[H][H].
What is the InChIKey of 3-ethyl-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylimidazole-4-carboxamide;molecular hydrogen?
The InChIKey is UAJPAYUEDCGZMY-FSRHSHDFSA-N. The full InChI is InChI=1S/C28H28FN3O2.H2/c1-5-32-26(28(33)30-19(3)21-12-9-13-23(17-21)34-4)25(22-14-15-24(29)18(2)16-22)31-27(32)20-10-7-6-8-11-20;/h6-17,19H,5H2,1-4H3,(H,30,33);1H/t19-;/m1./s1.
What are the key properties of 3-ethyl-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylimidazole-4-carboxamide;molecular hydrogen?
3-ethyl-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylimidazole-4-carboxamide;molecular hydrogen has a molecular weight of 459.57 g/mol, XLogP of 6.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylimidazole-4-carboxamide;molecular hydrogen is sourced from PubChem (CID 161037004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).