1-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide

C10H15N3O2 — CID 141069706

IUPAC1-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn([C@H]2CCCC[C@@H]2O)cn1
InChIInChI=1S/C10H15N3O2/c11-10(15)7-5-13(6-12-7)8-3-1-2-4-9(8)14/h5-6,8-9,14H,1-4H2,(H2,11,15)/t8-,9-/m0/s1
InChIKeyGWASPXXPCQPGIA-IUCAKERBSA-N
MW209.25 g/mol
LogP0.46
Rot. Bonds2

About 1-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide

1-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide (PubChem CID 141069706) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide
PubChem CID141069706
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn([C@H]2CCCC[C@@H]2O)cn1
InChIInChI=1S/C10H15N3O2/c11-10(15)7-5-13(6-12-7)8-3-1-2-4-9(8)14/h5-6,8-9,14H,1-4H2,(H2,11,15)/t8-,9-/m0/s1
InChIKeyGWASPXXPCQPGIA-IUCAKERBSA-N
XLogP0.46
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide?
The IUPAC name of 1-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide (CID 141069706) is 1-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide is NC(=O)c1cn([C@H]2CCCC[C@@H]2O)cn1.
What is the InChIKey of 1-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide?
The InChIKey is GWASPXXPCQPGIA-IUCAKERBSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-10(15)7-5-13(6-12-7)8-3-1-2-4-9(8)14/h5-6,8-9,14H,1-4H2,(H2,11,15)/t8-,9-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide?
1-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide is sourced from PubChem (CID 141069706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).