5-cyclopropyl-2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1-[2-(6-oxooxan-2-yl)ethyl]imidazole-4-carboxamide

C28H30FN3O4 — CID 143131309

IUPAC5-cyclopropyl-2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1-[2-(6-oxooxan-2-yl)ethyl]imidazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CCC3CCCC(=O)O3)c2C2CC2)cc1
InChIInChI=1S/C28H30FN3O4/c1-35-22-13-5-18(6-14-22)17-30-28(34)25-26(19-7-8-19)32(16-15-23-3-2-4-24(33)36-23)27(31-25)20-9-11-21(29)12-10-20/h5-6,9-14,19,23H,2-4,7-8,15-17H2,1H3,(H,30,34)
InChIKeySWOHFZUJHWUNLM-UHFFFAOYSA-N
MW491.56 g/mol
LogP4.99
Rot. Bonds9

About 5-cyclopropyl-2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1-[2-(6-oxooxan-2-yl)ethyl]imidazole-4-carboxamide

5-cyclopropyl-2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1-[2-(6-oxooxan-2-yl)ethyl]imidazole-4-carboxamide (PubChem CID 143131309) has the molecular formula C28H30FN3O4 and a molecular weight of 491.56 g/mol. Its IUPAC name is 5-cyclopropyl-2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1-[2-(6-oxooxan-2-yl)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1-[2-(6-oxooxan-2-yl)ethyl]imidazole-4-carboxamide
PubChem CID143131309
Molecular FormulaC28H30FN3O4
Molecular Weight491.56 g/mol
Exact Mass491.22
IUPAC Name5-cyclopropyl-2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1-[2-(6-oxooxan-2-yl)ethyl]imidazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CCC3CCCC(=O)O3)c2C2CC2)cc1
InChIInChI=1S/C28H30FN3O4/c1-35-22-13-5-18(6-14-22)17-30-28(34)25-26(19-7-8-19)32(16-15-23-3-2-4-24(33)36-23)27(31-25)20-9-11-21(29)12-10-20/h5-6,9-14,19,23H,2-4,7-8,15-17H2,1H3,(H,30,34)
InChIKeySWOHFZUJHWUNLM-UHFFFAOYSA-N
XLogP4.99
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-2-(4-fluorophenyl)-1-[2-(6-oxooxan-2-yl)ethyl]-5-propan-2-ylimidazole-4-carboxamide
CID 143131291
(3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(4-methoxyphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate
CID 91932245
2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-5-propan-2-ylimidazole-4-carboxamide
CID 58773230
(3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(4-methylphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate
CID 91932242
2-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-5-propan-2-ylimidazole-4-carboxamide
CID 58773180
sodium (3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(2-methoxyphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate
CID 54585103
N-[(4-fluorophenyl)methyl]-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 7614554
2-[6-[2-[4-butoxycarbonyl-5-cyclopropyl-2-(4-fluorophenyl)imidazol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
CID 71198607
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110392627
5-cyclopropyl-2-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-propylimidazole-4-carboxamide;4-(2-methoxypropan-2-yloxy)-2-[(2-methylpropan-2-yl)oxy]hex-1-ene;hydrate
CID 143649861
N-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 136580152

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1-[2-(6-oxooxan-2-yl)ethyl]imidazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1-[2-(6-oxooxan-2-yl)ethyl]imidazole-4-carboxamide (CID 143131309) is 5-cyclopropyl-2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1-[2-(6-oxooxan-2-yl)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1-[2-(6-oxooxan-2-yl)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1-[2-(6-oxooxan-2-yl)ethyl]imidazole-4-carboxamide is COc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CCC3CCCC(=O)O3)c2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1-[2-(6-oxooxan-2-yl)ethyl]imidazole-4-carboxamide?
The InChIKey is SWOHFZUJHWUNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O4/c1-35-22-13-5-18(6-14-22)17-30-28(34)25-26(19-7-8-19)32(16-15-23-3-2-4-24(33)36-23)27(31-25)20-9-11-21(29)12-10-20/h5-6,9-14,19,23H,2-4,7-8,15-17H2,1H3,(H,30,34).
What are the key properties of 5-cyclopropyl-2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1-[2-(6-oxooxan-2-yl)ethyl]imidazole-4-carboxamide?
5-cyclopropyl-2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1-[2-(6-oxooxan-2-yl)ethyl]imidazole-4-carboxamide has a molecular weight of 491.56 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1-[2-(6-oxooxan-2-yl)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 143131309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).