N-cyclohexylimidazole-1-carboxamide

C10H15N3O — CID 39871275

IUPACN-cyclohexylimidazole-1-carboxamide
SMILESO=C(NC1CCCCC1)n1ccnc1
InChIInChI=1S/C10H15N3O/c14-10(13-7-6-11-8-13)12-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,12,14)
InChIKeyNXJIYCANKQQFTG-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.77
Rot. Bonds1

About N-cyclohexylimidazole-1-carboxamide

N-cyclohexylimidazole-1-carboxamide (PubChem CID 39871275) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-cyclohexylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexylimidazole-1-carboxamide
PubChem CID39871275
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-cyclohexylimidazole-1-carboxamide
SMILESO=C(NC1CCCCC1)n1ccnc1
InChIInChI=1S/C10H15N3O/c14-10(13-7-6-11-8-13)12-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,12,14)
InChIKeyNXJIYCANKQQFTG-UHFFFAOYSA-N
XLogP1.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylimidazole-1-carboxamide?
The IUPAC name of N-cyclohexylimidazole-1-carboxamide (CID 39871275) is N-cyclohexylimidazole-1-carboxamide.
What is the SMILES notation for N-cyclohexylimidazole-1-carboxamide?
The canonical SMILES for N-cyclohexylimidazole-1-carboxamide is O=C(NC1CCCCC1)n1ccnc1.
What is the InChIKey of N-cyclohexylimidazole-1-carboxamide?
The InChIKey is NXJIYCANKQQFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-10(13-7-6-11-8-13)12-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,12,14).
What are the key properties of N-cyclohexylimidazole-1-carboxamide?
N-cyclohexylimidazole-1-carboxamide has a molecular weight of 193.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylimidazole-1-carboxamide is sourced from PubChem (CID 39871275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).