N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-2-hydroxycyclopentane-1-carboxamide

C16H18FN3O2 — CID 110015527

IUPACN-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-2-hydroxycyclopentane-1-carboxamide
SMILESCn1cnc(-c2ccc(F)cc2)c1NC(=O)C1CCCC1O
InChIInChI=1S/C16H18FN3O2/c1-20-9-18-14(10-5-7-11(17)8-6-10)15(20)19-16(22)12-3-2-4-13(12)21/h5-9,12-13,21H,2-4H2,1H3,(H,19,22)
InChIKeyYEDXINIXUCQTAH-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.33
Rot. Bonds3

About N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-2-hydroxycyclopentane-1-carboxamide

N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110015527) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110015527
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC NameN-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-2-hydroxycyclopentane-1-carboxamide
SMILESCn1cnc(-c2ccc(F)cc2)c1NC(=O)C1CCCC1O
InChIInChI=1S/C16H18FN3O2/c1-20-9-18-14(10-5-7-11(17)8-6-10)15(20)19-16(22)12-3-2-4-13(12)21/h5-9,12-13,21H,2-4H2,1H3,(H,19,22)
InChIKeyYEDXINIXUCQTAH-UHFFFAOYSA-N
XLogP2.33
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-2-hydroxycyclopentane-1-carboxamide (CID 110015527) is N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-2-hydroxycyclopentane-1-carboxamide is Cn1cnc(-c2ccc(F)cc2)c1NC(=O)C1CCCC1O.
What is the InChIKey of N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is YEDXINIXUCQTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-20-9-18-14(10-5-7-11(17)8-6-10)15(20)19-16(22)12-3-2-4-13(12)21/h5-9,12-13,21H,2-4H2,1H3,(H,19,22).
What are the key properties of N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-2-hydroxycyclopentane-1-carboxamide?
N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110015527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).