cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-(2-methylpropyl)imidazol-2-yl]cyclopropane-1-carboxamide

C17H20FN3O — CID 95153281

IUPACcis-(1R,2S)-2-(4-fluorophenyl)-N-[1-(2-methylpropyl)imidazol-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)Cn1ccnc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O/c1-11(2)10-21-8-7-19-17(21)20-16(22)15-9-14(15)12-3-5-13(18)6-4-12/h3-8,11,14-15H,9-10H2,1-2H3,(H,19,20,22)/t14-,15-/m1/s1
InChIKeyIYJGHTYTDSGDDZ-HUUCEWRRSA-N
MW301.37 g/mol
LogP3.42
Rot. Bonds5

About cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-(2-methylpropyl)imidazol-2-yl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-(2-methylpropyl)imidazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 95153281) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-(2-methylpropyl)imidazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(4-fluorophenyl)-N-[1-(2-methylpropyl)imidazol-2-yl]cyclopropane-1-carboxamide
PubChem CID95153281
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Namecis-(1R,2S)-2-(4-fluorophenyl)-N-[1-(2-methylpropyl)imidazol-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)Cn1ccnc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O/c1-11(2)10-21-8-7-19-17(21)20-16(22)15-9-14(15)12-3-5-13(18)6-4-12/h3-8,11,14-15H,9-10H2,1-2H3,(H,19,20,22)/t14-,15-/m1/s1
InChIKeyIYJGHTYTDSGDDZ-HUUCEWRRSA-N
XLogP3.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-(2-methylpropyl)imidazol-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-(2-methylpropyl)imidazol-2-yl]cyclopropane-1-carboxamide (CID 95153281) is cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-(2-methylpropyl)imidazol-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-(2-methylpropyl)imidazol-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-(2-methylpropyl)imidazol-2-yl]cyclopropane-1-carboxamide is CC(C)Cn1ccnc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-(2-methylpropyl)imidazol-2-yl]cyclopropane-1-carboxamide?
The InChIKey is IYJGHTYTDSGDDZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-11(2)10-21-8-7-19-17(21)20-16(22)15-9-14(15)12-3-5-13(18)6-4-12/h3-8,11,14-15H,9-10H2,1-2H3,(H,19,20,22)/t14-,15-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-(2-methylpropyl)imidazol-2-yl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-(2-methylpropyl)imidazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-(2-methylpropyl)imidazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95153281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).