2,5-dicyclohexyl-1H-imidazole-4-carboxylic acid

C16H24N2O2 — CID 3011563

IUPAC2,5-dicyclohexyl-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(C2CCCCC2)[nH]c1C1CCCCC1
InChIInChI=1S/C16H24N2O2/c19-16(20)14-13(11-7-3-1-4-8-11)17-15(18-14)12-9-5-2-6-10-12/h11-12H,1-10H2,(H,17,18)(H,19,20)
InChIKeyGJVKLWOWZFZMLD-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.20
Rot. Bonds3

About 2,5-dicyclohexyl-1H-imidazole-4-carboxylic acid

2,5-dicyclohexyl-1H-imidazole-4-carboxylic acid (PubChem CID 3011563) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,5-dicyclohexyl-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2,5-dicyclohexyl-1H-imidazole-4-carboxylic acid
PubChem CID3011563
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2,5-dicyclohexyl-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(C2CCCCC2)[nH]c1C1CCCCC1
InChIInChI=1S/C16H24N2O2/c19-16(20)14-13(11-7-3-1-4-8-11)17-15(18-14)12-9-5-2-6-10-12/h11-12H,1-10H2,(H,17,18)(H,19,20)
InChIKeyGJVKLWOWZFZMLD-UHFFFAOYSA-N
XLogP4.20
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dicyclohexyl-1H-imidazole-4-carboxylic acid?
The IUPAC name of 2,5-dicyclohexyl-1H-imidazole-4-carboxylic acid (CID 3011563) is 2,5-dicyclohexyl-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 2,5-dicyclohexyl-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 2,5-dicyclohexyl-1H-imidazole-4-carboxylic acid is O=C(O)c1nc(C2CCCCC2)[nH]c1C1CCCCC1.
What is the InChIKey of 2,5-dicyclohexyl-1H-imidazole-4-carboxylic acid?
The InChIKey is GJVKLWOWZFZMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-16(20)14-13(11-7-3-1-4-8-11)17-15(18-14)12-9-5-2-6-10-12/h11-12H,1-10H2,(H,17,18)(H,19,20).
What are the key properties of 2,5-dicyclohexyl-1H-imidazole-4-carboxylic acid?
2,5-dicyclohexyl-1H-imidazole-4-carboxylic acid has a molecular weight of 276.38 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dicyclohexyl-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 3011563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).