2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-N-[1-(2-ethylcyclopropyl)-2-phenylethyl]acetamide

C29H27BrN4OS — CID 90823158

IUPAC2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-N-[1-(2-ethylcyclopropyl)-2-phenylethyl]acetamide
SMILESCCC1CC1C(Cc1ccccc1)NC(=O)CSc1ncc(Br)n1-c1ccc(C#N)c2ccccc12
InChIInChI=1S/C29H27BrN4OS/c1-2-20-15-24(20)25(14-19-8-4-3-5-9-19)33-28(35)18-36-29-32-17-27(30)34(29)26-13-12-21(16-31)22-10-6-7-11-23(22)26/h3-13,17,20,24-25H,2,14-15,18H2,1H3,(H,33,35)
InChIKeyFOLDMADNHIPRBH-UHFFFAOYSA-N
MW559.53 g/mol
LogP6.53
Rot. Bonds9

About 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-N-[1-(2-ethylcyclopropyl)-2-phenylethyl]acetamide

2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-N-[1-(2-ethylcyclopropyl)-2-phenylethyl]acetamide (PubChem CID 90823158) has the molecular formula C29H27BrN4OS and a molecular weight of 559.53 g/mol. Its IUPAC name is 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-N-[1-(2-ethylcyclopropyl)-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-N-[1-(2-ethylcyclopropyl)-2-phenylethyl]acetamide
PubChem CID90823158
Molecular FormulaC29H27BrN4OS
Molecular Weight559.53 g/mol
Exact Mass558.11
IUPAC Name2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-N-[1-(2-ethylcyclopropyl)-2-phenylethyl]acetamide
SMILESCCC1CC1C(Cc1ccccc1)NC(=O)CSc1ncc(Br)n1-c1ccc(C#N)c2ccccc12
InChIInChI=1S/C29H27BrN4OS/c1-2-20-15-24(20)25(14-19-8-4-3-5-9-19)33-28(35)18-36-29-32-17-27(30)34(29)26-13-12-21(16-31)22-10-6-7-11-23(22)26/h3-13,17,20,24-25H,2,14-15,18H2,1H3,(H,33,35)
InChIKeyFOLDMADNHIPRBH-UHFFFAOYSA-N
XLogP6.53
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.53
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-N-[1-(2-ethylcyclopropyl)-2-phenylethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]-3-hydroxybutanoate
CID 59225891
2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetic acid;2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetic acid;ethyl 2-aminoacetate;ethyl 2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetate
CID 162070566
2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetic acid;2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetic acid;ethyl 2-[(2-aminoacetyl)amino]acetate;ethyl 2-[[2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]acetyl]amino]acetate
CID 160957186
2-(3-amino-3-oxopropyl)-5-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-4-oxopentanoic acid
CID 149205030
ethyl 5-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-5,5-difluoro-2-(1-hydroxyethyl)-4-oxopentanoate
CID 149478786
potassium;2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetate;bis(2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-2,2-difluoroacetic acid);piperazine
CID 169426982
2-[[5-bromo-4-(4-cyanonaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 70904485
5-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-5,5-difluoro-N-[2-(2-hydroxyethylamino)ethyl]-4-oxopentanamide
CID 159873087
5-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-5,5-difluoro-2-(1H-indol-3-ylmethyl)-4-oxopentanoic acid
CID 158244587
ethyl 6-amino-2-[3-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-3,3-difluoro-2-oxopropyl]hexanoate
CID 159196077
methyl 2-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetate
CID 162669727
CID 70905331
CID 70905331

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-N-[1-(2-ethylcyclopropyl)-2-phenylethyl]acetamide?
The IUPAC name of 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-N-[1-(2-ethylcyclopropyl)-2-phenylethyl]acetamide (CID 90823158) is 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-N-[1-(2-ethylcyclopropyl)-2-phenylethyl]acetamide.
What is the SMILES notation for 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-N-[1-(2-ethylcyclopropyl)-2-phenylethyl]acetamide?
The canonical SMILES for 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-N-[1-(2-ethylcyclopropyl)-2-phenylethyl]acetamide is CCC1CC1C(Cc1ccccc1)NC(=O)CSc1ncc(Br)n1-c1ccc(C#N)c2ccccc12.
What is the InChIKey of 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-N-[1-(2-ethylcyclopropyl)-2-phenylethyl]acetamide?
The InChIKey is FOLDMADNHIPRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27BrN4OS/c1-2-20-15-24(20)25(14-19-8-4-3-5-9-19)33-28(35)18-36-29-32-17-27(30)34(29)26-13-12-21(16-31)22-10-6-7-11-23(22)26/h3-13,17,20,24-25H,2,14-15,18H2,1H3,(H,33,35).
What are the key properties of 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-N-[1-(2-ethylcyclopropyl)-2-phenylethyl]acetamide?
2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-N-[1-(2-ethylcyclopropyl)-2-phenylethyl]acetamide has a molecular weight of 559.53 g/mol, XLogP of 6.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanyl-N-[1-(2-ethylcyclopropyl)-2-phenylethyl]acetamide is sourced from PubChem (CID 90823158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).