(4-bromophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)oxyimidazol-4-yl]methanone

C19H24BrN3O2 — CID 11603851

IUPAC(4-bromophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)oxyimidazol-4-yl]methanone
SMILESCC(C)N1CCC(Oc2ncc(C(=O)c3ccc(Br)cc3)n2C)CC1
InChIInChI=1S/C19H24BrN3O2/c1-13(2)23-10-8-16(9-11-23)25-19-21-12-17(22(19)3)18(24)14-4-6-15(20)7-5-14/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyREIZVEXTQOXFNK-UHFFFAOYSA-N
MW406.32 g/mol
LogP3.67
Rot. Bonds5

About (4-bromophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)oxyimidazol-4-yl]methanone

(4-bromophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)oxyimidazol-4-yl]methanone (PubChem CID 11603851) has the molecular formula C19H24BrN3O2 and a molecular weight of 406.32 g/mol. Its IUPAC name is (4-bromophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)oxyimidazol-4-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)oxyimidazol-4-yl]methanone
PubChem CID11603851
Molecular FormulaC19H24BrN3O2
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Name(4-bromophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)oxyimidazol-4-yl]methanone
SMILESCC(C)N1CCC(Oc2ncc(C(=O)c3ccc(Br)cc3)n2C)CC1
InChIInChI=1S/C19H24BrN3O2/c1-13(2)23-10-8-16(9-11-23)25-19-21-12-17(22(19)3)18(24)14-4-6-15(20)7-5-14/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyREIZVEXTQOXFNK-UHFFFAOYSA-N
XLogP3.67
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(Z)-but-2-enedioic acid;(4-chlorophenyl)-[3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methoxy]imidazol-4-yl]methanone
CID 11271822
(4-chlorophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)sulfanylimidazol-4-yl]methanone
CID 10156476
(4-bromophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone
CID 11661415
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid
CID 117053796
2-(4-bromophenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190511
6-bromo-N-(1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide
CID 66462526
(4-propan-2-ylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69070920
N-ethyl-N-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide
CID 69061667
bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 56983177
1-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]ethanone
CID 58747945
4-methoxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 97280716
3-methyl-2-propan-2-yloxyimidazole-4-carboxylic acid
CID 117190537

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)oxyimidazol-4-yl]methanone?
The IUPAC name of (4-bromophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)oxyimidazol-4-yl]methanone (CID 11603851) is (4-bromophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)oxyimidazol-4-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)oxyimidazol-4-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)oxyimidazol-4-yl]methanone is CC(C)N1CCC(Oc2ncc(C(=O)c3ccc(Br)cc3)n2C)CC1.
What is the InChIKey of (4-bromophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)oxyimidazol-4-yl]methanone?
The InChIKey is REIZVEXTQOXFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O2/c1-13(2)23-10-8-16(9-11-23)25-19-21-12-17(22(19)3)18(24)14-4-6-15(20)7-5-14/h4-7,12-13,16H,8-11H2,1-3H3.
What are the key properties of (4-bromophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)oxyimidazol-4-yl]methanone?
(4-bromophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)oxyimidazol-4-yl]methanone has a molecular weight of 406.32 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)oxyimidazol-4-yl]methanone is sourced from PubChem (CID 11603851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).