2-[3-[[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]carbamoyl]cyclobutyl]acetic acid

C17H18FN3O3 — CID 166299828

IUPAC2-[3-[[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]carbamoyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1CC(C(=O)NC(c2ccc(F)cc2)c2ncc[nH]2)C1
InChIInChI=1S/C17H18FN3O3/c18-13-3-1-11(2-4-13)15(16-19-5-6-20-16)21-17(24)12-7-10(8-12)9-14(22)23/h1-6,10,12,15H,7-9H2,(H,19,20)(H,21,24)(H,22,23)
InChIKeyUROWDQYAOQEBJD-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.26
Rot. Bonds6

About 2-[3-[[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]carbamoyl]cyclobutyl]acetic acid

2-[3-[[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]carbamoyl]cyclobutyl]acetic acid (PubChem CID 166299828) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-[3-[[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]carbamoyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]carbamoyl]cyclobutyl]acetic acid
PubChem CID166299828
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name2-[3-[[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]carbamoyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1CC(C(=O)NC(c2ccc(F)cc2)c2ncc[nH]2)C1
InChIInChI=1S/C17H18FN3O3/c18-13-3-1-11(2-4-13)15(16-19-5-6-20-16)21-17(24)12-7-10(8-12)9-14(22)23/h1-6,10,12,15H,7-9H2,(H,19,20)(H,21,24)(H,22,23)
InChIKeyUROWDQYAOQEBJD-UHFFFAOYSA-N
XLogP2.26
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]carbamoyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[3-[[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]carbamoyl]cyclobutyl]acetic acid (CID 166299828) is 2-[3-[[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]carbamoyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[3-[[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]carbamoyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[3-[[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]carbamoyl]cyclobutyl]acetic acid is O=C(O)CC1CC(C(=O)NC(c2ccc(F)cc2)c2ncc[nH]2)C1.
What is the InChIKey of 2-[3-[[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]carbamoyl]cyclobutyl]acetic acid?
The InChIKey is UROWDQYAOQEBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c18-13-3-1-11(2-4-13)15(16-19-5-6-20-16)21-17(24)12-7-10(8-12)9-14(22)23/h1-6,10,12,15H,7-9H2,(H,19,20)(H,21,24)(H,22,23).
What are the key properties of 2-[3-[[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]carbamoyl]cyclobutyl]acetic acid?
2-[3-[[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]carbamoyl]cyclobutyl]acetic acid has a molecular weight of 331.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]carbamoyl]cyclobutyl]acetic acid is sourced from PubChem (CID 166299828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).