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

C14H16BrN3O2 — CID 75437041

IUPAC1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-N-methylimidazole-4-carboxamide
SMILESCC(CO)N(C)C(=O)c1cn(-c2ccc(Br)cc2)cn1
InChIInChI=1S/C14H16BrN3O2/c1-10(8-19)17(2)14(20)13-7-18(9-16-13)12-5-3-11(15)4-6-12/h3-7,9-10,19H,8H2,1-2H3
InChIKeyVEMGSHGYLSCQGA-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.09
Rot. Bonds4

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

1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-N-methylimidazole-4-carboxamide (PubChem CID 75437041) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-N-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-N-methylimidazole-4-carboxamide
PubChem CID75437041
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-N-methylimidazole-4-carboxamide
SMILESCC(CO)N(C)C(=O)c1cn(-c2ccc(Br)cc2)cn1
InChIInChI=1S/C14H16BrN3O2/c1-10(8-19)17(2)14(20)13-7-18(9-16-13)12-5-3-11(15)4-6-12/h3-7,9-10,19H,8H2,1-2H3
InChIKeyVEMGSHGYLSCQGA-UHFFFAOYSA-N
XLogP2.09
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
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)-N-methylimidazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-N-methylimidazole-4-carboxamide (CID 75437041) is 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-N-methylimidazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-N-methylimidazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-N-methylimidazole-4-carboxamide is CC(CO)N(C)C(=O)c1cn(-c2ccc(Br)cc2)cn1.
What is the InChIKey of 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-N-methylimidazole-4-carboxamide?
The InChIKey is VEMGSHGYLSCQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-10(8-19)17(2)14(20)13-7-18(9-16-13)12-5-3-11(15)4-6-12/h3-7,9-10,19H,8H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-N-methylimidazole-4-carboxamide?
1-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-N-methylimidazole-4-carboxamide has a molecular weight of 338.21 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 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)-N-methylimidazole-4-carboxamide is sourced from PubChem (CID 75437041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).