2-amino-4-(3-phenylmethoxyphenyl)-4-(1H-pyrrol-3-yl)-1H-imidazol-5-one

C20H18N4O2 — CID 71220460

IUPAC2-amino-4-(3-phenylmethoxyphenyl)-4-(1H-pyrrol-3-yl)-1H-imidazol-5-one
SMILESNC1=NC(c2cc[nH]c2)(c2cccc(OCc3ccccc3)c2)C(=O)N1
InChIInChI=1S/C20H18N4O2/c21-19-23-18(25)20(24-19,16-9-10-22-12-16)15-7-4-8-17(11-15)26-13-14-5-2-1-3-6-14/h1-12,22H,13H2,(H3,21,23,24,25)
InChIKeyIXCFLIKENXDKKW-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.28
Rot. Bonds5

About 2-amino-4-(3-phenylmethoxyphenyl)-4-(1H-pyrrol-3-yl)-1H-imidazol-5-one

2-amino-4-(3-phenylmethoxyphenyl)-4-(1H-pyrrol-3-yl)-1H-imidazol-5-one (PubChem CID 71220460) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-amino-4-(3-phenylmethoxyphenyl)-4-(1H-pyrrol-3-yl)-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4-(3-phenylmethoxyphenyl)-4-(1H-pyrrol-3-yl)-1H-imidazol-5-one
PubChem CID71220460
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-amino-4-(3-phenylmethoxyphenyl)-4-(1H-pyrrol-3-yl)-1H-imidazol-5-one
SMILESNC1=NC(c2cc[nH]c2)(c2cccc(OCc3ccccc3)c2)C(=O)N1
InChIInChI=1S/C20H18N4O2/c21-19-23-18(25)20(24-19,16-9-10-22-12-16)15-7-4-8-17(11-15)26-13-14-5-2-1-3-6-14/h1-12,22H,13H2,(H3,21,23,24,25)
InChIKeyIXCFLIKENXDKKW-UHFFFAOYSA-N
XLogP2.28
TPSA92.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-phenylmethoxyphenyl)-4-(1H-pyrrol-3-yl)-1H-imidazol-5-one?
The IUPAC name of 2-amino-4-(3-phenylmethoxyphenyl)-4-(1H-pyrrol-3-yl)-1H-imidazol-5-one (CID 71220460) is 2-amino-4-(3-phenylmethoxyphenyl)-4-(1H-pyrrol-3-yl)-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4-(3-phenylmethoxyphenyl)-4-(1H-pyrrol-3-yl)-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4-(3-phenylmethoxyphenyl)-4-(1H-pyrrol-3-yl)-1H-imidazol-5-one is NC1=NC(c2cc[nH]c2)(c2cccc(OCc3ccccc3)c2)C(=O)N1.
What is the InChIKey of 2-amino-4-(3-phenylmethoxyphenyl)-4-(1H-pyrrol-3-yl)-1H-imidazol-5-one?
The InChIKey is IXCFLIKENXDKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-19-23-18(25)20(24-19,16-9-10-22-12-16)15-7-4-8-17(11-15)26-13-14-5-2-1-3-6-14/h1-12,22H,13H2,(H3,21,23,24,25).
What are the key properties of 2-amino-4-(3-phenylmethoxyphenyl)-4-(1H-pyrrol-3-yl)-1H-imidazol-5-one?
2-amino-4-(3-phenylmethoxyphenyl)-4-(1H-pyrrol-3-yl)-1H-imidazol-5-one has a molecular weight of 346.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-phenylmethoxyphenyl)-4-(1H-pyrrol-3-yl)-1H-imidazol-5-one is sourced from PubChem (CID 71220460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).