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

C18H22N4O4 — CID 16746593

IUPACtert-butyl 2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate
SMILESCc1ccc(NC(=O)c2nc[nH]c2C(=O)NCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H22N4O4/c1-11-5-7-12(8-6-11)22-17(25)15-14(20-10-21-15)16(24)19-9-13(23)26-18(2,3)4/h5-8,10H,9H2,1-4H3,(H,19,24)(H,20,21)(H,22,25)
InChIKeyVYIBAPBKYYWBCD-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.04
Rot. Bonds5

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

tert-butyl 2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate (PubChem CID 16746593) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is tert-butyl 2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate
PubChem CID16746593
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Nametert-butyl 2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate
SMILESCc1ccc(NC(=O)c2nc[nH]c2C(=O)NCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H22N4O4/c1-11-5-7-12(8-6-11)22-17(25)15-14(20-10-21-15)16(24)19-9-13(23)26-18(2,3)4/h5-8,10H,9H2,1-4H3,(H,19,24)(H,20,21)(H,22,25)
InChIKeyVYIBAPBKYYWBCD-UHFFFAOYSA-N
XLogP2.04
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

tert-butyl (2S)-2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate
CID 16746629
4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide
CID 823571
tert-butyl 2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]acetate
CID 24792917
ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 847566
4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 22331411
4-N-[4-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 123410514
4-N-(4-methylphenyl)-5-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736421
5-N-(2,2-dimethylpropyl)-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide;4-fluorobenzaldehyde
CID 144936548
5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736447
5-N-ethyl-4-N-[4-[(2-methylsulfonylbenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
CID 118419604
4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide
CID 118419725
N-(4-tert-butylphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683972

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate (CID 16746593) is tert-butyl 2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate is Cc1ccc(NC(=O)c2nc[nH]c2C(=O)NCC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate?
The InChIKey is VYIBAPBKYYWBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-11-5-7-12(8-6-11)22-17(25)15-14(20-10-21-15)16(24)19-9-13(23)26-18(2,3)4/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-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate?
tert-butyl 2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate has a molecular weight of 358.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate is sourced from PubChem (CID 16746593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).