(4-bromophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone

C19H24BrN3O2 — CID 11661415

IUPAC(4-bromophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone
SMILESCn1c(C(=O)c2ccc(Br)cc2)cnc1OCCCN1CCCCC1
InChIInChI=1S/C19H24BrN3O2/c1-22-17(18(24)15-6-8-16(20)9-7-15)14-21-19(22)25-13-5-12-23-10-3-2-4-11-23/h6-9,14H,2-5,10-13H2,1H3
InChIKeyXXZUDIXMTPVZHL-UHFFFAOYSA-N
MW406.32 g/mol
LogP3.67
Rot. Bonds7

About (4-bromophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone

(4-bromophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone (PubChem CID 11661415) has the molecular formula C19H24BrN3O2 and a molecular weight of 406.32 g/mol. Its IUPAC name is (4-bromophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone
PubChem CID11661415
Molecular FormulaC19H24BrN3O2
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Name(4-bromophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone
SMILESCn1c(C(=O)c2ccc(Br)cc2)cnc1OCCCN1CCCCC1
InChIInChI=1S/C19H24BrN3O2/c1-22-17(18(24)15-6-8-16(20)9-7-15)14-21-19(22)25-13-5-12-23-10-3-2-4-11-23/h6-9,14H,2-5,10-13H2,1H3
InChIKeyXXZUDIXMTPVZHL-UHFFFAOYSA-N
XLogP3.67
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutyl)imidazol-4-yl]methanone
CID 44571278
(4-bromophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)oxyimidazol-4-yl]methanone
CID 11603851
2-piperidin-1-ylethyl 4-bromobenzoate
CID 755742
1-[6-(4-bromophenoxy)hexyl]piperidine;oxalic acid
CID 146051025
5-bromo-2-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 118523377
1-[3-(1-methyl-5-naphthalen-1-ylimidazol-2-yl)oxypropyl]piperidine
CID 141130550
4-methyl-3-(3-piperidin-1-ylpropoxy)benzoic acid
CID 82165926
1-[4-(4-bromo-2-methylphenoxy)butyl]azepane;oxalic acid
CID 2943843
1-[3-(4-bromo-2-chlorophenoxy)propyl]piperidine;oxalic acid
CID 2924033
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine
CID 169337129
N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
CID 69070873

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone?
The IUPAC name of (4-bromophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone (CID 11661415) is (4-bromophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone is Cn1c(C(=O)c2ccc(Br)cc2)cnc1OCCCN1CCCCC1.
What is the InChIKey of (4-bromophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone?
The InChIKey is XXZUDIXMTPVZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O2/c1-22-17(18(24)15-6-8-16(20)9-7-15)14-21-19(22)25-13-5-12-23-10-3-2-4-11-23/h6-9,14H,2-5,10-13H2,1H3.
What are the key properties of (4-bromophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone?
(4-bromophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone has a molecular weight of 406.32 g/mol, XLogP of 3.67, 7 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-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone is sourced from PubChem (CID 11661415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).