(3R,5R)-7-[5-(4-fluorophenyl)-2-(phenylcarbamoyl)-3-propylimidazol-4-yl]-3,5-dihydroxyheptanoic acid

C26H30FN3O5 — CID 11352169

IUPAC(3R,5R)-7-[5-(4-fluorophenyl)-2-(phenylcarbamoyl)-3-propylimidazol-4-yl]-3,5-dihydroxyheptanoic acid
SMILESCCCn1c(C(=O)Nc2ccccc2)nc(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)O
InChIInChI=1S/C26H30FN3O5/c1-2-14-30-22(13-12-20(31)15-21(32)16-23(33)34)24(17-8-10-18(27)11-9-17)29-25(30)26(35)28-19-6-4-3-5-7-19/h3-11,20-21,31-32H,2,12-16H2,1H3,(H,28,35)(H,33,34)/t20-,21-/m1/s1
InChIKeySJPGRMJABLJDJM-NHCUHLMSSA-N
MW483.54 g/mol
LogP3.87
Rot. Bonds12

About (3R,5R)-7-[5-(4-fluorophenyl)-2-(phenylcarbamoyl)-3-propylimidazol-4-yl]-3,5-dihydroxyheptanoic acid

(3R,5R)-7-[5-(4-fluorophenyl)-2-(phenylcarbamoyl)-3-propylimidazol-4-yl]-3,5-dihydroxyheptanoic acid (PubChem CID 11352169) has the molecular formula C26H30FN3O5 and a molecular weight of 483.54 g/mol. Its IUPAC name is (3R,5R)-7-[5-(4-fluorophenyl)-2-(phenylcarbamoyl)-3-propylimidazol-4-yl]-3,5-dihydroxyheptanoic acid.

Molecular Properties

Compound Name(3R,5R)-7-[5-(4-fluorophenyl)-2-(phenylcarbamoyl)-3-propylimidazol-4-yl]-3,5-dihydroxyheptanoic acid
PubChem CID11352169
Molecular FormulaC26H30FN3O5
Molecular Weight483.54 g/mol
Exact Mass483.22
IUPAC Name(3R,5R)-7-[5-(4-fluorophenyl)-2-(phenylcarbamoyl)-3-propylimidazol-4-yl]-3,5-dihydroxyheptanoic acid
SMILESCCCn1c(C(=O)Nc2ccccc2)nc(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)O
InChIInChI=1S/C26H30FN3O5/c1-2-14-30-22(13-12-20(31)15-21(32)16-23(33)34)24(17-8-10-18(27)11-9-17)29-25(30)26(35)28-19-6-4-3-5-7-19/h3-11,20-21,31-32H,2,12-16H2,1H3,(H,28,35)(H,33,34)/t20-,21-/m1/s1
InChIKeySJPGRMJABLJDJM-NHCUHLMSSA-N
XLogP3.87
TPSA124.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 53.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-7-[5-(4-fluorophenyl)-2-(phenylcarbamoyl)-3-propylimidazol-4-yl]-3,5-dihydroxyheptanoic acid?
The IUPAC name of (3R,5R)-7-[5-(4-fluorophenyl)-2-(phenylcarbamoyl)-3-propylimidazol-4-yl]-3,5-dihydroxyheptanoic acid (CID 11352169) is (3R,5R)-7-[5-(4-fluorophenyl)-2-(phenylcarbamoyl)-3-propylimidazol-4-yl]-3,5-dihydroxyheptanoic acid.
What is the SMILES notation for (3R,5R)-7-[5-(4-fluorophenyl)-2-(phenylcarbamoyl)-3-propylimidazol-4-yl]-3,5-dihydroxyheptanoic acid?
The canonical SMILES for (3R,5R)-7-[5-(4-fluorophenyl)-2-(phenylcarbamoyl)-3-propylimidazol-4-yl]-3,5-dihydroxyheptanoic acid is CCCn1c(C(=O)Nc2ccccc2)nc(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)O.
What is the InChIKey of (3R,5R)-7-[5-(4-fluorophenyl)-2-(phenylcarbamoyl)-3-propylimidazol-4-yl]-3,5-dihydroxyheptanoic acid?
The InChIKey is SJPGRMJABLJDJM-NHCUHLMSSA-N. The full InChI is InChI=1S/C26H30FN3O5/c1-2-14-30-22(13-12-20(31)15-21(32)16-23(33)34)24(17-8-10-18(27)11-9-17)29-25(30)26(35)28-19-6-4-3-5-7-19/h3-11,20-21,31-32H,2,12-16H2,1H3,(H,28,35)(H,33,34)/t20-,21-/m1/s1.
What are the key properties of (3R,5R)-7-[5-(4-fluorophenyl)-2-(phenylcarbamoyl)-3-propylimidazol-4-yl]-3,5-dihydroxyheptanoic acid?
(3R,5R)-7-[5-(4-fluorophenyl)-2-(phenylcarbamoyl)-3-propylimidazol-4-yl]-3,5-dihydroxyheptanoic acid has a molecular weight of 483.54 g/mol, XLogP of 3.87, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-7-[5-(4-fluorophenyl)-2-(phenylcarbamoyl)-3-propylimidazol-4-yl]-3,5-dihydroxyheptanoic acid is sourced from PubChem (CID 11352169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).