5-(2-cycloheptylethyl)-2-cyclohexyl-1H-imidazole-4-carboxylic acid

C19H30N2O2 — CID 18405682

IUPAC5-(2-cycloheptylethyl)-2-cyclohexyl-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(C2CCCCC2)[nH]c1CCC1CCCCCC1
InChIInChI=1S/C19H30N2O2/c22-19(23)17-16(13-12-14-8-4-1-2-5-9-14)20-18(21-17)15-10-6-3-7-11-15/h14-15H,1-13H2,(H,20,21)(H,22,23)
InChIKeySMYSPECHLSZACP-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.06
Rot. Bonds5

About 5-(2-cycloheptylethyl)-2-cyclohexyl-1H-imidazole-4-carboxylic acid

5-(2-cycloheptylethyl)-2-cyclohexyl-1H-imidazole-4-carboxylic acid (PubChem CID 18405682) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 5-(2-cycloheptylethyl)-2-cyclohexyl-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-cycloheptylethyl)-2-cyclohexyl-1H-imidazole-4-carboxylic acid
PubChem CID18405682
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name5-(2-cycloheptylethyl)-2-cyclohexyl-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(C2CCCCC2)[nH]c1CCC1CCCCCC1
InChIInChI=1S/C19H30N2O2/c22-19(23)17-16(13-12-14-8-4-1-2-5-9-14)20-18(21-17)15-10-6-3-7-11-15/h14-15H,1-13H2,(H,20,21)(H,22,23)
InChIKeySMYSPECHLSZACP-UHFFFAOYSA-N
XLogP5.06
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3011565
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CID 3006262
CID 3006262
CID 3006264
CID 3006264
CID 3006275
CID 3006275
CID 71255714
CID 71255714
CID 175425334
CID 175425334
CID 18405353
CID 18405353
CID 18405411
CID 18405411
CID 18405518
CID 18405518
CID 18405540
CID 18405540

Frequently Asked Questions

What is the IUPAC name of 5-(2-cycloheptylethyl)-2-cyclohexyl-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-(2-cycloheptylethyl)-2-cyclohexyl-1H-imidazole-4-carboxylic acid (CID 18405682) is 5-(2-cycloheptylethyl)-2-cyclohexyl-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-cycloheptylethyl)-2-cyclohexyl-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-(2-cycloheptylethyl)-2-cyclohexyl-1H-imidazole-4-carboxylic acid is O=C(O)c1nc(C2CCCCC2)[nH]c1CCC1CCCCCC1.
What is the InChIKey of 5-(2-cycloheptylethyl)-2-cyclohexyl-1H-imidazole-4-carboxylic acid?
The InChIKey is SMYSPECHLSZACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c22-19(23)17-16(13-12-14-8-4-1-2-5-9-14)20-18(21-17)15-10-6-3-7-11-15/h14-15H,1-13H2,(H,20,21)(H,22,23).
What are the key properties of 5-(2-cycloheptylethyl)-2-cyclohexyl-1H-imidazole-4-carboxylic acid?
5-(2-cycloheptylethyl)-2-cyclohexyl-1H-imidazole-4-carboxylic acid has a molecular weight of 318.46 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cycloheptylethyl)-2-cyclohexyl-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 18405682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).