3-[4-(1-aminocyclohexyl)phenyl]-1H-imidazol-2-one

C15H19N3O — CID 117396903

IUPAC3-[4-(1-aminocyclohexyl)phenyl]-1H-imidazol-2-one
SMILESNC1(c2ccc(-n3cc[nH]c3=O)cc2)CCCCC1
InChIInChI=1S/C15H19N3O/c16-15(8-2-1-3-9-15)12-4-6-13(7-5-12)18-11-10-17-14(18)19/h4-7,10-11H,1-3,8-9,16H2,(H,17,19)
InChIKeyNNFHEFKVCDZEPF-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.28
Rot. Bonds2

About 3-[4-(1-aminocyclohexyl)phenyl]-1H-imidazol-2-one

3-[4-(1-aminocyclohexyl)phenyl]-1H-imidazol-2-one (PubChem CID 117396903) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[4-(1-aminocyclohexyl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-(1-aminocyclohexyl)phenyl]-1H-imidazol-2-one
PubChem CID117396903
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[4-(1-aminocyclohexyl)phenyl]-1H-imidazol-2-one
SMILESNC1(c2ccc(-n3cc[nH]c3=O)cc2)CCCCC1
InChIInChI=1S/C15H19N3O/c16-15(8-2-1-3-9-15)12-4-6-13(7-5-12)18-11-10-17-14(18)19/h4-7,10-11H,1-3,8-9,16H2,(H,17,19)
InChIKeyNNFHEFKVCDZEPF-UHFFFAOYSA-N
XLogP2.28
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminocyclohexyl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[4-(1-aminocyclohexyl)phenyl]-1H-imidazol-2-one (CID 117396903) is 3-[4-(1-aminocyclohexyl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-(1-aminocyclohexyl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[4-(1-aminocyclohexyl)phenyl]-1H-imidazol-2-one is NC1(c2ccc(-n3cc[nH]c3=O)cc2)CCCCC1.
What is the InChIKey of 3-[4-(1-aminocyclohexyl)phenyl]-1H-imidazol-2-one?
The InChIKey is NNFHEFKVCDZEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-15(8-2-1-3-9-15)12-4-6-13(7-5-12)18-11-10-17-14(18)19/h4-7,10-11H,1-3,8-9,16H2,(H,17,19).
What are the key properties of 3-[4-(1-aminocyclohexyl)phenyl]-1H-imidazol-2-one?
3-[4-(1-aminocyclohexyl)phenyl]-1H-imidazol-2-one has a molecular weight of 257.34 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminocyclohexyl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 117396903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).