N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide

C11H13Br2N5O — CID 10596590

IUPACN-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
SMILESNc1ncc(CCCNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1
InChIInChI=1S/C11H13Br2N5O/c12-7-4-8(18-9(7)13)10(19)15-3-1-2-6-5-16-11(14)17-6/h4-5,18H,1-3H2,(H,15,19)(H3,14,16,17)
InChIKeyLTBPDTOBRXMEAA-UHFFFAOYSA-N
MW391.07 g/mol
LogP2.21
Rot. Bonds5

About N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide

N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide (PubChem CID 10596590) has the molecular formula C11H13Br2N5O and a molecular weight of 391.07 g/mol. Its IUPAC name is N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
PubChem CID10596590
Molecular FormulaC11H13Br2N5O
Molecular Weight391.07 g/mol
Exact Mass388.95
IUPAC NameN-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
SMILESNc1ncc(CCCNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1
InChIInChI=1S/C11H13Br2N5O/c12-7-4-8(18-9(7)13)10(19)15-3-1-2-6-5-16-11(14)17-6/h4-5,18H,1-3H2,(H,15,19)(H3,14,16,17)
InChIKeyLTBPDTOBRXMEAA-UHFFFAOYSA-N
XLogP2.21
TPSA99.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.07
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide (CID 10596590) is N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide is Nc1ncc(CCCNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1.
What is the InChIKey of N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide?
The InChIKey is LTBPDTOBRXMEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N5O/c12-7-4-8(18-9(7)13)10(19)15-3-1-2-6-5-16-11(14)17-6/h4-5,18H,1-3H2,(H,15,19)(H3,14,16,17).
What are the key properties of N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide?
N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide has a molecular weight of 391.07 g/mol, XLogP of 2.21, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 10596590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).