4,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide

C10H10Br2N4O — CID 67062108

IUPAC4,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1cc(Br)c(Br)[nH]1
InChIInChI=1S/C10H10Br2N4O/c11-7-3-8(16-9(7)12)10(17)14-2-1-6-4-13-5-15-6/h3-5,16H,1-2H2,(H,13,15)(H,14,17)
InChIKeyNCELWINLWDQYKV-UHFFFAOYSA-N
MW362.03 g/mol
LogP2.24
Rot. Bonds4

About 4,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide

4,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 67062108) has the molecular formula C10H10Br2N4O and a molecular weight of 362.03 g/mol. Its IUPAC name is 4,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID67062108
Molecular FormulaC10H10Br2N4O
Molecular Weight362.03 g/mol
Exact Mass359.92
IUPAC Name4,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1cc(Br)c(Br)[nH]1
InChIInChI=1S/C10H10Br2N4O/c11-7-3-8(16-9(7)12)10(17)14-2-1-6-4-13-5-15-6/h3-5,16H,1-2H2,(H,13,15)(H,14,17)
InChIKeyNCELWINLWDQYKV-UHFFFAOYSA-N
XLogP2.24
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.03
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide (CID 67062108) is 4,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide is O=C(NCCc1cnc[nH]1)c1cc(Br)c(Br)[nH]1.
What is the InChIKey of 4,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is NCELWINLWDQYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N4O/c11-7-3-8(16-9(7)12)10(17)14-2-1-6-4-13-5-15-6/h3-5,16H,1-2H2,(H,13,15)(H,14,17).
What are the key properties of 4,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide?
4,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 362.03 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 67062108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).