2-amino-4-phenyl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one

C14H13N3OS — CID 75359046

IUPAC2-amino-4-phenyl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
SMILESNC1=NC(Cc2cccs2)(c2ccccc2)C(=O)N1
InChIInChI=1S/C14H13N3OS/c15-13-16-12(18)14(17-13,9-11-7-4-8-19-11)10-5-2-1-3-6-10/h1-8H,9H2,(H3,15,16,17,18)
InChIKeyNFACQXRDNMIZQR-UHFFFAOYSA-N
MW271.35 g/mol
LogP1.63
Rot. Bonds3

About 2-amino-4-phenyl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one

2-amino-4-phenyl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one (PubChem CID 75359046) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-amino-4-phenyl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4-phenyl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
PubChem CID75359046
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-amino-4-phenyl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
SMILESNC1=NC(Cc2cccs2)(c2ccccc2)C(=O)N1
InChIInChI=1S/C14H13N3OS/c15-13-16-12(18)14(17-13,9-11-7-4-8-19-11)10-5-2-1-3-6-10/h1-8H,9H2,(H3,15,16,17,18)
InChIKeyNFACQXRDNMIZQR-UHFFFAOYSA-N
XLogP1.63
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one?
The IUPAC name of 2-amino-4-phenyl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one (CID 75359046) is 2-amino-4-phenyl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4-phenyl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4-phenyl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one is NC1=NC(Cc2cccs2)(c2ccccc2)C(=O)N1.
What is the InChIKey of 2-amino-4-phenyl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one?
The InChIKey is NFACQXRDNMIZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c15-13-16-12(18)14(17-13,9-11-7-4-8-19-11)10-5-2-1-3-6-10/h1-8H,9H2,(H3,15,16,17,18).
What are the key properties of 2-amino-4-phenyl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one?
2-amino-4-phenyl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one has a molecular weight of 271.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one is sourced from PubChem (CID 75359046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).