5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one

C16H21N3O2 — CID 79967643

IUPAC5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one
SMILESCCCOc1cccc(C2C(N)=NC(=O)N2CC2CC2)c1
InChIInChI=1S/C16H21N3O2/c1-2-8-21-13-5-3-4-12(9-13)14-15(17)18-16(20)19(14)10-11-6-7-11/h3-5,9,11,14H,2,6-8,10H2,1H3,(H2,17,18,20)
InChIKeyOAGLBZKKTFAWEX-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.72
Rot. Bonds6

About 5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one

5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one (PubChem CID 79967643) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one
PubChem CID79967643
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one
SMILESCCCOc1cccc(C2C(N)=NC(=O)N2CC2CC2)c1
InChIInChI=1S/C16H21N3O2/c1-2-8-21-13-5-3-4-12(9-13)14-15(17)18-16(20)19(14)10-11-6-7-11/h3-5,9,11,14H,2,6-8,10H2,1H3,(H2,17,18,20)
InChIKeyOAGLBZKKTFAWEX-UHFFFAOYSA-N
XLogP2.72
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-(cyclopropylmethyl)-4-(3,5-dimethoxyphenyl)-4H-imidazol-2-one
CID 79968318
5-amino-3-(cyclopropylmethyl)-4-(4-methylsulfanylphenyl)-4H-imidazol-2-one
CID 79967171
5-amino-4-naphthalen-2-yl-3-propyl-4H-imidazol-2-one
CID 79961605
3-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)benzonitrile
CID 79961947
4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one
CID 54792593
5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967392
5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one
CID 79973133
5-amino-3-propan-2-yl-4-(3-propan-2-yloxyphenyl)-4H-imidazol-2-one
CID 79967024
1-methoxy-3-(3-propoxyphenyl)pyrrolidine-2,5-dione
CID 59172842
(3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine
CID 143447260
(3-propoxyphenoxy)methylcyclooctane
CID 69097441
2-(cyclopropylamino)-4-(3-propoxyphenyl)-1,4-dihydroimidazol-5-one
CID 82998420

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one (CID 79967643) is 5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one is CCCOc1cccc(C2C(N)=NC(=O)N2CC2CC2)c1.
What is the InChIKey of 5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one?
The InChIKey is OAGLBZKKTFAWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-8-21-13-5-3-4-12(9-13)14-15(17)18-16(20)19(14)10-11-6-7-11/h3-5,9,11,14H,2,6-8,10H2,1H3,(H2,17,18,20).
What are the key properties of 5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one?
5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one has a molecular weight of 287.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one is sourced from PubChem (CID 79967643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).