1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)imidazole-4-carboxamide

C13H14BrN3O2 — CID 109468525

IUPAC1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)imidazole-4-carboxamide
SMILESCC(CO)NC(=O)c1cn(-c2ccc(Br)cc2)cn1
InChIInChI=1S/C13H14BrN3O2/c1-9(7-18)16-13(19)12-6-17(8-15-12)11-4-2-10(14)3-5-11/h2-6,8-9,18H,7H2,1H3,(H,16,19)
InChIKeyJAVCZPQHYAEPDP-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.75
Rot. Bonds4

About 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)imidazole-4-carboxamide

1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)imidazole-4-carboxamide (PubChem CID 109468525) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)imidazole-4-carboxamide
PubChem CID109468525
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)imidazole-4-carboxamide
SMILESCC(CO)NC(=O)c1cn(-c2ccc(Br)cc2)cn1
InChIInChI=1S/C13H14BrN3O2/c1-9(7-18)16-13(19)12-6-17(8-15-12)11-4-2-10(14)3-5-11/h2-6,8-9,18H,7H2,1H3,(H,16,19)
InChIKeyJAVCZPQHYAEPDP-UHFFFAOYSA-N
XLogP1.75
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)imidazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)imidazole-4-carboxamide (CID 109468525) is 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)imidazole-4-carboxamide is CC(CO)NC(=O)c1cn(-c2ccc(Br)cc2)cn1.
What is the InChIKey of 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)imidazole-4-carboxamide?
The InChIKey is JAVCZPQHYAEPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-9(7-18)16-13(19)12-6-17(8-15-12)11-4-2-10(14)3-5-11/h2-6,8-9,18H,7H2,1H3,(H,16,19).
What are the key properties of 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)imidazole-4-carboxamide?
1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)imidazole-4-carboxamide has a molecular weight of 324.18 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 109468525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).