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

C14H17N3OS — CID 79967171

IUPAC5-amino-3-(cyclopropylmethyl)-4-(4-methylsulfanylphenyl)-4H-imidazol-2-one
SMILESCSc1ccc(C2C(N)=NC(=O)N2CC2CC2)cc1
InChIInChI=1S/C14H17N3OS/c1-19-11-6-4-10(5-7-11)12-13(15)16-14(18)17(12)8-9-2-3-9/h4-7,9,12H,2-3,8H2,1H3,(H2,15,16,18)
InChIKeyTWZALNFCNCQWLE-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.65
Rot. Bonds4

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

5-amino-3-(cyclopropylmethyl)-4-(4-methylsulfanylphenyl)-4H-imidazol-2-one (PubChem CID 79967171) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 5-amino-3-(cyclopropylmethyl)-4-(4-methylsulfanylphenyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(cyclopropylmethyl)-4-(4-methylsulfanylphenyl)-4H-imidazol-2-one
PubChem CID79967171
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name5-amino-3-(cyclopropylmethyl)-4-(4-methylsulfanylphenyl)-4H-imidazol-2-one
SMILESCSc1ccc(C2C(N)=NC(=O)N2CC2CC2)cc1
InChIInChI=1S/C14H17N3OS/c1-19-11-6-4-10(5-7-11)12-13(15)16-14(18)17(12)8-9-2-3-9/h4-7,9,12H,2-3,8H2,1H3,(H2,15,16,18)
InChIKeyTWZALNFCNCQWLE-UHFFFAOYSA-N
XLogP2.65
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(cyclopropylmethyl)-4-(4-methylsulfanylphenyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-(cyclopropylmethyl)-4-(4-methylsulfanylphenyl)-4H-imidazol-2-one (CID 79967171) is 5-amino-3-(cyclopropylmethyl)-4-(4-methylsulfanylphenyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-(cyclopropylmethyl)-4-(4-methylsulfanylphenyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-(cyclopropylmethyl)-4-(4-methylsulfanylphenyl)-4H-imidazol-2-one is CSc1ccc(C2C(N)=NC(=O)N2CC2CC2)cc1.
What is the InChIKey of 5-amino-3-(cyclopropylmethyl)-4-(4-methylsulfanylphenyl)-4H-imidazol-2-one?
The InChIKey is TWZALNFCNCQWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-19-11-6-4-10(5-7-11)12-13(15)16-14(18)17(12)8-9-2-3-9/h4-7,9,12H,2-3,8H2,1H3,(H2,15,16,18).
What are the key properties of 5-amino-3-(cyclopropylmethyl)-4-(4-methylsulfanylphenyl)-4H-imidazol-2-one?
5-amino-3-(cyclopropylmethyl)-4-(4-methylsulfanylphenyl)-4H-imidazol-2-one has a molecular weight of 275.38 g/mol, XLogP of 2.65, 4 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-(4-methylsulfanylphenyl)-4H-imidazol-2-one is sourced from PubChem (CID 79967171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).