2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide

C20H24BrN5O2S — CID 22108072

IUPAC2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(C(=O)CSc2nccn2-c2ccc(Br)cc2)CC1)NC1CC1
InChIInChI=1S/C20H24BrN5O2S/c21-15-1-5-17(6-2-15)26-8-7-22-20(26)29-14-19(28)25-11-9-24(10-12-25)13-18(27)23-16-3-4-16/h1-2,5-8,16H,3-4,9-14H2,(H,23,27)
InChIKeyRLONGKSOXDJEJV-UHFFFAOYSA-N
MW478.42 g/mol
LogP2.15
Rot. Bonds7

About 2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide

2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 22108072) has the molecular formula C20H24BrN5O2S and a molecular weight of 478.42 g/mol. Its IUPAC name is 2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID22108072
Molecular FormulaC20H24BrN5O2S
Molecular Weight478.42 g/mol
Exact Mass477.08
IUPAC Name2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(C(=O)CSc2nccn2-c2ccc(Br)cc2)CC1)NC1CC1
InChIInChI=1S/C20H24BrN5O2S/c21-15-1-5-17(6-2-15)26-8-7-22-20(26)29-14-19(28)25-11-9-24(10-12-25)13-18(27)23-16-3-4-16/h1-2,5-8,16H,3-4,9-14H2,(H,23,27)
InChIKeyRLONGKSOXDJEJV-UHFFFAOYSA-N
XLogP2.15
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide with MolForge

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Related Compounds

1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-4-carboxamide
CID 24571532
N-(2,6-dimethylphenyl)-2-[4-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide
CID 39761968
N-tert-butyl-2-[4-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide
CID 24572763
2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31427469
2-[4-[2-(4-bromoanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 60512931
1-(4-methylsulfonylpiperazin-1-yl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone
CID 27923162
2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 40684891
N-cyclopropyl-2-[4-[2-[[4-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazin-1-yl]acetamide
CID 25355654
methyl 1-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate
CID 40657969
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 40684880
2-[4-(5-bromo-2-iodobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 31426765
N-(4-bromophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 4119542

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide (CID 22108072) is 2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide is O=C(CN1CCN(C(=O)CSc2nccn2-c2ccc(Br)cc2)CC1)NC1CC1.
What is the InChIKey of 2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is RLONGKSOXDJEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN5O2S/c21-15-1-5-17(6-2-15)26-8-7-22-20(26)29-14-19(28)25-11-9-24(10-12-25)13-18(27)23-16-3-4-16/h1-2,5-8,16H,3-4,9-14H2,(H,23,27).
What are the key properties of 2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 478.42 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 22108072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).