5-amino-3-cyclopropyl-4-(3,5-dimethylphenyl)-4H-imidazol-2-one

C14H17N3O — CID 79959854

IUPAC5-amino-3-cyclopropyl-4-(3,5-dimethylphenyl)-4H-imidazol-2-one
SMILESCc1cc(C)cc(C2C(N)=NC(=O)N2C2CC2)c1
InChIInChI=1S/C14H17N3O/c1-8-5-9(2)7-10(6-8)12-13(15)16-14(18)17(12)11-3-4-11/h5-7,11-12H,3-4H2,1-2H3,(H2,15,16,18)
InChIKeyBJBOSGDSEXCQJU-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.30
Rot. Bonds2

About 5-amino-3-cyclopropyl-4-(3,5-dimethylphenyl)-4H-imidazol-2-one

5-amino-3-cyclopropyl-4-(3,5-dimethylphenyl)-4H-imidazol-2-one (PubChem CID 79959854) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-amino-3-cyclopropyl-4-(3,5-dimethylphenyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-cyclopropyl-4-(3,5-dimethylphenyl)-4H-imidazol-2-one
PubChem CID79959854
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-amino-3-cyclopropyl-4-(3,5-dimethylphenyl)-4H-imidazol-2-one
SMILESCc1cc(C)cc(C2C(N)=NC(=O)N2C2CC2)c1
InChIInChI=1S/C14H17N3O/c1-8-5-9(2)7-10(6-8)12-13(15)16-14(18)17(12)11-3-4-11/h5-7,11-12H,3-4H2,1-2H3,(H2,15,16,18)
InChIKeyBJBOSGDSEXCQJU-UHFFFAOYSA-N
XLogP2.30
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one
CID 79961022
5-amino-3-cyclopropyl-4-(3,5-dimethoxyphenyl)-4H-imidazol-2-one
CID 79961404
5-amino-3-cyclopropyl-4-(3-fluoro-4-methylphenyl)-4H-imidazol-2-one
CID 79960849
5-amino-3-cyclopropyl-4-(4-methoxyphenyl)-4H-imidazol-2-one
CID 79960655
N-[4-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)phenyl]acetamide
CID 79961931
5-amino-3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-4H-imidazol-2-one
CID 79961761
5-amino-4-(5-bromothiophen-2-yl)-3-cyclopropyl-4H-imidazol-2-one
CID 79961202
5-amino-4-(5-bromo-2-pyridinyl)-3-cyclopropyl-4H-imidazol-2-one
CID 113394154
5-amino-3-cyclopropyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-4H-imidazol-2-one
CID 79962314
5-amino-3-cyclopropyl-4-(2,2-dimethoxyethyl)-4H-imidazol-2-one
CID 79960269
5-amino-4-(3-methylphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967121
5-amino-3-(cyclopropylmethyl)-4-(3,5-dimethoxyphenyl)-4H-imidazol-2-one
CID 79968318

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-cyclopropyl-4-(3,5-dimethylphenyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-cyclopropyl-4-(3,5-dimethylphenyl)-4H-imidazol-2-one (CID 79959854) is 5-amino-3-cyclopropyl-4-(3,5-dimethylphenyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-cyclopropyl-4-(3,5-dimethylphenyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-cyclopropyl-4-(3,5-dimethylphenyl)-4H-imidazol-2-one is Cc1cc(C)cc(C2C(N)=NC(=O)N2C2CC2)c1.
What is the InChIKey of 5-amino-3-cyclopropyl-4-(3,5-dimethylphenyl)-4H-imidazol-2-one?
The InChIKey is BJBOSGDSEXCQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-8-5-9(2)7-10(6-8)12-13(15)16-14(18)17(12)11-3-4-11/h5-7,11-12H,3-4H2,1-2H3,(H2,15,16,18).
What are the key properties of 5-amino-3-cyclopropyl-4-(3,5-dimethylphenyl)-4H-imidazol-2-one?
5-amino-3-cyclopropyl-4-(3,5-dimethylphenyl)-4H-imidazol-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-cyclopropyl-4-(3,5-dimethylphenyl)-4H-imidazol-2-one is sourced from PubChem (CID 79959854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).