1-[5-bromo-4-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]-3-ethylurea

C17H16BrN5O — CID 141248026

IUPAC1-[5-bromo-4-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(-c2ncc(-c3ccccc3)[nH]2)c(Br)cn1
InChIInChI=1S/C17H16BrN5O/c1-2-19-17(24)23-15-8-12(13(18)9-20-15)16-21-10-14(22-16)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,21,22)(H2,19,20,23,24)
InChIKeyHJGCSSRMGUVPME-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.04
Rot. Bonds4

About 1-[5-bromo-4-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]-3-ethylurea

1-[5-bromo-4-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]-3-ethylurea (PubChem CID 141248026) has the molecular formula C17H16BrN5O and a molecular weight of 386.25 g/mol. Its IUPAC name is 1-[5-bromo-4-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]-3-ethylurea.

Molecular Properties

Compound Name1-[5-bromo-4-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]-3-ethylurea
PubChem CID141248026
Molecular FormulaC17H16BrN5O
Molecular Weight386.25 g/mol
Exact Mass385.05
IUPAC Name1-[5-bromo-4-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(-c2ncc(-c3ccccc3)[nH]2)c(Br)cn1
InChIInChI=1S/C17H16BrN5O/c1-2-19-17(24)23-15-8-12(13(18)9-20-15)16-21-10-14(22-16)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,21,22)(H2,19,20,23,24)
InChIKeyHJGCSSRMGUVPME-UHFFFAOYSA-N
XLogP4.04
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-4-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]-3-ethylurea?
The IUPAC name of 1-[5-bromo-4-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]-3-ethylurea (CID 141248026) is 1-[5-bromo-4-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]-3-ethylurea.
What is the SMILES notation for 1-[5-bromo-4-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]-3-ethylurea?
The canonical SMILES for 1-[5-bromo-4-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]-3-ethylurea is CCNC(=O)Nc1cc(-c2ncc(-c3ccccc3)[nH]2)c(Br)cn1.
What is the InChIKey of 1-[5-bromo-4-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]-3-ethylurea?
The InChIKey is HJGCSSRMGUVPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O/c1-2-19-17(24)23-15-8-12(13(18)9-20-15)16-21-10-14(22-16)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,21,22)(H2,19,20,23,24).
What are the key properties of 1-[5-bromo-4-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]-3-ethylurea?
1-[5-bromo-4-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]-3-ethylurea has a molecular weight of 386.25 g/mol, XLogP of 4.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-4-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]-3-ethylurea is sourced from PubChem (CID 141248026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).