2-[5-(3-phenylpropyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylic acid

C16H18N2O2 — CID 123810509

IUPAC2-[5-(3-phenylpropyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ncc(CCCc2ccccc2)[nH]1
InChIInChI=1S/C16H18N2O2/c19-16(20)14-9-13(14)15-17-10-12(18-15)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10,13-14H,4,7-9H2,(H,17,18)(H,19,20)
InChIKeyJEGYHOIPPFWVGK-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.77
Rot. Bonds6

About 2-[5-(3-phenylpropyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylic acid

2-[5-(3-phenylpropyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylic acid (PubChem CID 123810509) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[5-(3-phenylpropyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[5-(3-phenylpropyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylic acid
PubChem CID123810509
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[5-(3-phenylpropyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1ncc(CCCc2ccccc2)[nH]1
InChIInChI=1S/C16H18N2O2/c19-16(20)14-9-13(14)15-17-10-12(18-15)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10,13-14H,4,7-9H2,(H,17,18)(H,19,20)
InChIKeyJEGYHOIPPFWVGK-UHFFFAOYSA-N
XLogP2.77
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-phenylpropyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[5-(3-phenylpropyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylic acid (CID 123810509) is 2-[5-(3-phenylpropyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[5-(3-phenylpropyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[5-(3-phenylpropyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1ncc(CCCc2ccccc2)[nH]1.
What is the InChIKey of 2-[5-(3-phenylpropyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylic acid?
The InChIKey is JEGYHOIPPFWVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(20)14-9-13(14)15-17-10-12(18-15)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10,13-14H,4,7-9H2,(H,17,18)(H,19,20).
What are the key properties of 2-[5-(3-phenylpropyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylic acid?
2-[5-(3-phenylpropyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-phenylpropyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 123810509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).