tert-butyl 4-bromo-2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate

C18H28BrN3O4 — CID 139574399

IUPACtert-butyl 4-bromo-2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate
SMILESCN(Cc1c(Br)nc(C2CC2)n1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H28BrN3O4/c1-17(2,3)25-15(23)21(7)10-12-13(19)20-14(11-8-9-11)22(12)16(24)26-18(4,5)6/h11H,8-10H2,1-7H3
InChIKeyOMNZBMYAFTYLAM-UHFFFAOYSA-N
MW430.34 g/mol
LogP4.67
Rot. Bonds3

About tert-butyl 4-bromo-2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate

tert-butyl 4-bromo-2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate (PubChem CID 139574399) has the molecular formula C18H28BrN3O4 and a molecular weight of 430.34 g/mol. Its IUPAC name is tert-butyl 4-bromo-2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-bromo-2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate
PubChem CID139574399
Molecular FormulaC18H28BrN3O4
Molecular Weight430.34 g/mol
Exact Mass429.13
IUPAC Nametert-butyl 4-bromo-2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate
SMILESCN(Cc1c(Br)nc(C2CC2)n1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H28BrN3O4/c1-17(2,3)25-15(23)21(7)10-12-13(19)20-14(11-8-9-11)22(12)16(24)26-18(4,5)6/h11H,8-10H2,1-7H3
InChIKeyOMNZBMYAFTYLAM-UHFFFAOYSA-N
XLogP4.67
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-bromo-2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate 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

tert-butyl 2-cyclopropyl-5-methoxyimidazole-1-carboxylate;tert-butyl 2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate
CID 158601162
2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid
CID 139558258
tert-butyl N-[(5-bromo-2-methyl-1,3-oxazol-4-yl)methyl]-N-methylcarbamate
CID 164902574
tert-butyl N-[(6-bromo-1-cyclopropyl-2-oxoquinolin-4-yl)methyl]-N-methylcarbamate
CID 178046497
tert-butyl N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylcarbamate
CID 63787812
tert-butyl 2-cyclopropyl-5-formylimidazole-1-carboxylate
CID 139558422
2-cyclopropyl-5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid
CID 139558421
tert-butyl N-[(4-bromo-2-pyridinyl)methyl]-N-methylcarbamate
CID 133062977
tert-butyl N-(9-bromononyl)-N-methylcarbamate
CID 166638484
4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 22450242
2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylic acid
CID 139558374
2-bromo-4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 59404716

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-bromo-2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate?
The IUPAC name of tert-butyl 4-bromo-2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate (CID 139574399) is tert-butyl 4-bromo-2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-bromo-2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate?
The canonical SMILES for tert-butyl 4-bromo-2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate is CN(Cc1c(Br)nc(C2CC2)n1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-bromo-2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate?
The InChIKey is OMNZBMYAFTYLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN3O4/c1-17(2,3)25-15(23)21(7)10-12-13(19)20-14(11-8-9-11)22(12)16(24)26-18(4,5)6/h11H,8-10H2,1-7H3.
What are the key properties of tert-butyl 4-bromo-2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate?
tert-butyl 4-bromo-2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate has a molecular weight of 430.34 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-bromo-2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate is sourced from PubChem (CID 139574399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).