[2-(imidazole-1-carbonyl)cyclohexyl]-imidazol-1-ylmethanone

C14H16N4O2 — CID 121291495

IUPAC[2-(imidazole-1-carbonyl)cyclohexyl]-imidazol-1-ylmethanone
SMILESO=C(C1CCCCC1C(=O)n1ccnc1)n1ccnc1
InChIInChI=1S/C14H16N4O2/c19-13(17-7-5-15-9-17)11-3-1-2-4-12(11)14(20)18-8-6-16-10-18/h5-12H,1-4H2
InChIKeyMTLBXULUWMJFBY-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.87
Rot. Bonds2

About [2-(imidazole-1-carbonyl)cyclohexyl]-imidazol-1-ylmethanone

[2-(imidazole-1-carbonyl)cyclohexyl]-imidazol-1-ylmethanone (PubChem CID 121291495) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is [2-(imidazole-1-carbonyl)cyclohexyl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[2-(imidazole-1-carbonyl)cyclohexyl]-imidazol-1-ylmethanone
PubChem CID121291495
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name[2-(imidazole-1-carbonyl)cyclohexyl]-imidazol-1-ylmethanone
SMILESO=C(C1CCCCC1C(=O)n1ccnc1)n1ccnc1
InChIInChI=1S/C14H16N4O2/c19-13(17-7-5-15-9-17)11-3-1-2-4-12(11)14(20)18-8-6-16-10-18/h5-12H,1-4H2
InChIKeyMTLBXULUWMJFBY-UHFFFAOYSA-N
XLogP1.87
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(imidazole-1-carbonyl)cyclohexyl]-imidazol-1-ylmethanone?
The IUPAC name of [2-(imidazole-1-carbonyl)cyclohexyl]-imidazol-1-ylmethanone (CID 121291495) is [2-(imidazole-1-carbonyl)cyclohexyl]-imidazol-1-ylmethanone.
What is the SMILES notation for [2-(imidazole-1-carbonyl)cyclohexyl]-imidazol-1-ylmethanone?
The canonical SMILES for [2-(imidazole-1-carbonyl)cyclohexyl]-imidazol-1-ylmethanone is O=C(C1CCCCC1C(=O)n1ccnc1)n1ccnc1.
What is the InChIKey of [2-(imidazole-1-carbonyl)cyclohexyl]-imidazol-1-ylmethanone?
The InChIKey is MTLBXULUWMJFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-13(17-7-5-15-9-17)11-3-1-2-4-12(11)14(20)18-8-6-16-10-18/h5-12H,1-4H2.
What are the key properties of [2-(imidazole-1-carbonyl)cyclohexyl]-imidazol-1-ylmethanone?
[2-(imidazole-1-carbonyl)cyclohexyl]-imidazol-1-ylmethanone has a molecular weight of 272.31 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(imidazole-1-carbonyl)cyclohexyl]-imidazol-1-ylmethanone is sourced from PubChem (CID 121291495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).