1-[3-(pyrazin-2-ylmethylamino)phenyl]imidazolidin-2-one

C14H15N5O — CID 62761809

IUPAC1-[3-(pyrazin-2-ylmethylamino)phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1cccc(NCc2cnccn2)c1
InChIInChI=1S/C14H15N5O/c20-14-17-6-7-19(14)13-3-1-2-11(8-13)18-10-12-9-15-4-5-16-12/h1-5,8-9,18H,6-7,10H2,(H,17,20)
InChIKeyKRXHKSNSPCOVGZ-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.62
Rot. Bonds4

About 1-[3-(pyrazin-2-ylmethylamino)phenyl]imidazolidin-2-one

1-[3-(pyrazin-2-ylmethylamino)phenyl]imidazolidin-2-one (PubChem CID 62761809) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-[3-(pyrazin-2-ylmethylamino)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(pyrazin-2-ylmethylamino)phenyl]imidazolidin-2-one
PubChem CID62761809
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name1-[3-(pyrazin-2-ylmethylamino)phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1cccc(NCc2cnccn2)c1
InChIInChI=1S/C14H15N5O/c20-14-17-6-7-19(14)13-3-1-2-11(8-13)18-10-12-9-15-4-5-16-12/h1-5,8-9,18H,6-7,10H2,(H,17,20)
InChIKeyKRXHKSNSPCOVGZ-UHFFFAOYSA-N
XLogP1.62
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-Phenyl-3-(pyridin-2-ylmethyl)urea
CID 853198
1-Cyclohexyl-3-pyridin-3-ylurea
CID 721806
1,1-Di(propan-2-yl)-3-quinoxalin-6-ylurea
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1-Pyridin-2-ylmethyl-3-[3-(3-pyridin-2-ylmethyl-ureido)-phenyl]-urea
CID 584305
1-(3-Nitrophenyl)-3-pyridin-3-ylurea
CID 677080
5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2H-benzimidazol-2-one
CID 3162135
1-(Piperidin-2-ylmethyl)-3-pyridin-3-ylimidazolidin-2-one
CID 46881467
1-(4-Fluorophenyl)-3-pyridin-3-ylurea
CID 736423
N-(2,4-difluorophenyl)-N'-(2-pyridinylmethyl)urea
CID 970987

Frequently Asked Questions

What is the IUPAC name of 1-[3-(pyrazin-2-ylmethylamino)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-(pyrazin-2-ylmethylamino)phenyl]imidazolidin-2-one (CID 62761809) is 1-[3-(pyrazin-2-ylmethylamino)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-(pyrazin-2-ylmethylamino)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-(pyrazin-2-ylmethylamino)phenyl]imidazolidin-2-one is O=C1NCCN1c1cccc(NCc2cnccn2)c1.
What is the InChIKey of 1-[3-(pyrazin-2-ylmethylamino)phenyl]imidazolidin-2-one?
The InChIKey is KRXHKSNSPCOVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c20-14-17-6-7-19(14)13-3-1-2-11(8-13)18-10-12-9-15-4-5-16-12/h1-5,8-9,18H,6-7,10H2,(H,17,20).
What are the key properties of 1-[3-(pyrazin-2-ylmethylamino)phenyl]imidazolidin-2-one?
1-[3-(pyrazin-2-ylmethylamino)phenyl]imidazolidin-2-one has a molecular weight of 269.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyrazin-2-ylmethylamino)phenyl]imidazolidin-2-one is sourced from PubChem (CID 62761809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).