tert-butyl 2-[[4-[(4-methoxyphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate

C18H22N4O5 — CID 16746606

IUPACtert-butyl 2-[[4-[(4-methoxyphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate
SMILESCOc1ccc(NC(=O)c2nc[nH]c2C(=O)NCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H22N4O5/c1-18(2,3)27-13(23)9-19-16(24)14-15(21-10-20-14)17(25)22-11-5-7-12(26-4)8-6-11/h5-8,10H,9H2,1-4H3,(H,19,24)(H,20,21)(H,22,25)
InChIKeySYPMGAWIEWCDEG-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.74
Rot. Bonds6

About tert-butyl 2-[[4-[(4-methoxyphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate

tert-butyl 2-[[4-[(4-methoxyphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate (PubChem CID 16746606) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is tert-butyl 2-[[4-[(4-methoxyphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[4-[(4-methoxyphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate
PubChem CID16746606
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC Nametert-butyl 2-[[4-[(4-methoxyphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate
SMILESCOc1ccc(NC(=O)c2nc[nH]c2C(=O)NCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H22N4O5/c1-18(2,3)27-13(23)9-19-16(24)14-15(21-10-20-14)17(25)22-11-5-7-12(26-4)8-6-11/h5-8,10H,9H2,1-4H3,(H,19,24)(H,20,21)(H,22,25)
InChIKeySYPMGAWIEWCDEG-UHFFFAOYSA-N
XLogP1.74
TPSA122.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[[4-[(4-methoxyphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-[(4-methoxyphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[4-[(4-methoxyphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate (CID 16746606) is tert-butyl 2-[[4-[(4-methoxyphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[4-[(4-methoxyphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[4-[(4-methoxyphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate is COc1ccc(NC(=O)c2nc[nH]c2C(=O)NCC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-[[4-[(4-methoxyphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate?
The InChIKey is SYPMGAWIEWCDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5/c1-18(2,3)27-13(23)9-19-16(24)14-15(21-10-20-14)17(25)22-11-5-7-12(26-4)8-6-11/h5-8,10H,9H2,1-4H3,(H,19,24)(H,20,21)(H,22,25).
What are the key properties of tert-butyl 2-[[4-[(4-methoxyphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate?
tert-butyl 2-[[4-[(4-methoxyphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate has a molecular weight of 374.40 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-[(4-methoxyphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate is sourced from PubChem (CID 16746606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).