2-(3-bromophenyl)-3-phenylmethoxy-1-(pyrazine-2-carbonyl)imidazolidin-4-one

C21H17BrN4O3 — CID 130405714

IUPAC2-(3-bromophenyl)-3-phenylmethoxy-1-(pyrazine-2-carbonyl)imidazolidin-4-one
SMILESO=C(c1cnccn1)N1CC(=O)N(OCc2ccccc2)C1c1cccc(Br)c1
InChIInChI=1S/C21H17BrN4O3/c22-17-8-4-7-16(11-17)20-25(21(28)18-12-23-9-10-24-18)13-19(27)26(20)29-14-15-5-2-1-3-6-15/h1-12,20H,13-14H2
InChIKeyKMJYMHAZJVGKIW-UHFFFAOYSA-N
MW453.30 g/mol
LogP3.35
Rot. Bonds5

About 2-(3-bromophenyl)-3-phenylmethoxy-1-(pyrazine-2-carbonyl)imidazolidin-4-one

2-(3-bromophenyl)-3-phenylmethoxy-1-(pyrazine-2-carbonyl)imidazolidin-4-one (PubChem CID 130405714) has the molecular formula C21H17BrN4O3 and a molecular weight of 453.30 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-phenylmethoxy-1-(pyrazine-2-carbonyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-phenylmethoxy-1-(pyrazine-2-carbonyl)imidazolidin-4-one
PubChem CID130405714
Molecular FormulaC21H17BrN4O3
Molecular Weight453.30 g/mol
Exact Mass452.05
IUPAC Name2-(3-bromophenyl)-3-phenylmethoxy-1-(pyrazine-2-carbonyl)imidazolidin-4-one
SMILESO=C(c1cnccn1)N1CC(=O)N(OCc2ccccc2)C1c1cccc(Br)c1
InChIInChI=1S/C21H17BrN4O3/c22-17-8-4-7-16(11-17)20-25(21(28)18-12-23-9-10-24-18)13-19(27)26(20)29-14-15-5-2-1-3-6-15/h1-12,20H,13-14H2
InChIKeyKMJYMHAZJVGKIW-UHFFFAOYSA-N
XLogP3.35
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrobenzoyl)-3-phenylmethoxyimidazolidin-4-one
CID 130405726
(4-methyl-2-phenylpiperazin-1-yl)-pyrazin-2-ylmethanone
CID 51251944
N-(3-bromophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513988
1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 124951880
3-(3-bromophenoxy)-1-pyrazin-2-ylpropan-1-one
CID 54971804
[(3S,4R)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 97422517
2-(3-bromophenyl)-1-(2,6-difluoro-4-methoxybenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405765
2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405721
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
[2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66484320
N-(3-bromophenyl)pyrazine-2-carboxamide
CID 139196935
(6S)-6-[(3-methoxyphenyl)methoxy]-1-(2-methylpropyl)-4-(pyrazine-2-carbonyl)-1,4-diazepan-2-one
CID 26230512

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-phenylmethoxy-1-(pyrazine-2-carbonyl)imidazolidin-4-one?
The IUPAC name of 2-(3-bromophenyl)-3-phenylmethoxy-1-(pyrazine-2-carbonyl)imidazolidin-4-one (CID 130405714) is 2-(3-bromophenyl)-3-phenylmethoxy-1-(pyrazine-2-carbonyl)imidazolidin-4-one.
What is the SMILES notation for 2-(3-bromophenyl)-3-phenylmethoxy-1-(pyrazine-2-carbonyl)imidazolidin-4-one?
The canonical SMILES for 2-(3-bromophenyl)-3-phenylmethoxy-1-(pyrazine-2-carbonyl)imidazolidin-4-one is O=C(c1cnccn1)N1CC(=O)N(OCc2ccccc2)C1c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-phenylmethoxy-1-(pyrazine-2-carbonyl)imidazolidin-4-one?
The InChIKey is KMJYMHAZJVGKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O3/c22-17-8-4-7-16(11-17)20-25(21(28)18-12-23-9-10-24-18)13-19(27)26(20)29-14-15-5-2-1-3-6-15/h1-12,20H,13-14H2.
What are the key properties of 2-(3-bromophenyl)-3-phenylmethoxy-1-(pyrazine-2-carbonyl)imidazolidin-4-one?
2-(3-bromophenyl)-3-phenylmethoxy-1-(pyrazine-2-carbonyl)imidazolidin-4-one has a molecular weight of 453.30 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-phenylmethoxy-1-(pyrazine-2-carbonyl)imidazolidin-4-one is sourced from PubChem (CID 130405714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).