4-[[(5-oxo-1,4-dihydroimidazol-2-yl)amino]methyl]cyclohexane-1-carboxamide

C11H18N4O2 — CID 101049926

IUPAC4-[[(5-oxo-1,4-dihydroimidazol-2-yl)amino]methyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(CNC2=NCC(=O)N2)CC1
InChIInChI=1S/C11H18N4O2/c12-10(17)8-3-1-7(2-4-8)5-13-11-14-6-9(16)15-11/h7-8H,1-6H2,(H2,12,17)(H2,13,14,15,16)
InChIKeyRGZPHJLDXDFXJJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.65
Rot. Bonds3

About 4-[[(5-oxo-1,4-dihydroimidazol-2-yl)amino]methyl]cyclohexane-1-carboxamide

4-[[(5-oxo-1,4-dihydroimidazol-2-yl)amino]methyl]cyclohexane-1-carboxamide (PubChem CID 101049926) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[[(5-oxo-1,4-dihydroimidazol-2-yl)amino]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[(5-oxo-1,4-dihydroimidazol-2-yl)amino]methyl]cyclohexane-1-carboxamide
PubChem CID101049926
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-[[(5-oxo-1,4-dihydroimidazol-2-yl)amino]methyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(CNC2=NCC(=O)N2)CC1
InChIInChI=1S/C11H18N4O2/c12-10(17)8-3-1-7(2-4-8)5-13-11-14-6-9(16)15-11/h7-8H,1-6H2,(H2,12,17)(H2,13,14,15,16)
InChIKeyRGZPHJLDXDFXJJ-UHFFFAOYSA-N
XLogP-0.65
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5-oxo-1,4-dihydroimidazol-2-yl)amino]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[(5-oxo-1,4-dihydroimidazol-2-yl)amino]methyl]cyclohexane-1-carboxamide (CID 101049926) is 4-[[(5-oxo-1,4-dihydroimidazol-2-yl)amino]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[(5-oxo-1,4-dihydroimidazol-2-yl)amino]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[(5-oxo-1,4-dihydroimidazol-2-yl)amino]methyl]cyclohexane-1-carboxamide is NC(=O)C1CCC(CNC2=NCC(=O)N2)CC1.
What is the InChIKey of 4-[[(5-oxo-1,4-dihydroimidazol-2-yl)amino]methyl]cyclohexane-1-carboxamide?
The InChIKey is RGZPHJLDXDFXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-10(17)8-3-1-7(2-4-8)5-13-11-14-6-9(16)15-11/h7-8H,1-6H2,(H2,12,17)(H2,13,14,15,16).
What are the key properties of 4-[[(5-oxo-1,4-dihydroimidazol-2-yl)amino]methyl]cyclohexane-1-carboxamide?
4-[[(5-oxo-1,4-dihydroimidazol-2-yl)amino]methyl]cyclohexane-1-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-oxo-1,4-dihydroimidazol-2-yl)amino]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 101049926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).