tert-butyl N-[5-(4-aminophenyl)-1H-imidazol-2-yl]-N-methylcarbamate

C15H20N4O2 — CID 90784928

IUPACtert-butyl N-[5-(4-aminophenyl)-1H-imidazol-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1ncc(-c2ccc(N)cc2)[nH]1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)19(4)13-17-9-12(18-13)10-5-7-11(16)8-6-10/h5-9H,16H2,1-4H3,(H,17,18)
InChIKeyKKENBQAWNSQYHH-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.03
Rot. Bonds2

About tert-butyl N-[5-(4-aminophenyl)-1H-imidazol-2-yl]-N-methylcarbamate

tert-butyl N-[5-(4-aminophenyl)-1H-imidazol-2-yl]-N-methylcarbamate (PubChem CID 90784928) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is tert-butyl N-[5-(4-aminophenyl)-1H-imidazol-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(4-aminophenyl)-1H-imidazol-2-yl]-N-methylcarbamate
PubChem CID90784928
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Nametert-butyl N-[5-(4-aminophenyl)-1H-imidazol-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1ncc(-c2ccc(N)cc2)[nH]1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)19(4)13-17-9-12(18-13)10-5-7-11(16)8-6-10/h5-9H,16H2,1-4H3,(H,17,18)
InChIKeyKKENBQAWNSQYHH-UHFFFAOYSA-N
XLogP3.03
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4-nitrophenyl)-1H-imidazol-2-yl]carbamate
CID 175863126
tert-butyl N-[5-(3-amino-4-methoxyphenyl)-1H-imidazol-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 175863122
tert-butyl N-methyl-N-[[5-(4-phenylphenyl)-1H-imidazol-2-yl]methyl]carbamate
CID 67214930
tert-butyl N-[4-[4-[4-amino-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]phenyl]-N-(4-aminophenyl)carbamate
CID 142297581
tert-butyl N-[5-(4-fluoro-3-nitrophenyl)-1H-imidazol-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 175863139
tert-butyl N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-N-propylcarbamate
CID 123310590
tert-butyl N-[[5-(4-bromo-3-methylphenyl)-1H-imidazol-2-yl]methyl]-N-methylcarbamate;ethane;propane
CID 143630179
tert-butyl N-ethyl-N-(5-phenyl-1H-imidazol-2-yl)carbamate;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 174441761
tert-butyl 4-methyl-3-[5-[4-[4-[2-[4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentanoate
CID 123634840
tert-butyl N-(6-amino-1H-benzimidazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 91420963
tert-butyl N-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)ethyl]carbamate
CID 170324871
tert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate
CID 89243683

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(4-aminophenyl)-1H-imidazol-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[5-(4-aminophenyl)-1H-imidazol-2-yl]-N-methylcarbamate (CID 90784928) is tert-butyl N-[5-(4-aminophenyl)-1H-imidazol-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[5-(4-aminophenyl)-1H-imidazol-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[5-(4-aminophenyl)-1H-imidazol-2-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1ncc(-c2ccc(N)cc2)[nH]1.
What is the InChIKey of tert-butyl N-[5-(4-aminophenyl)-1H-imidazol-2-yl]-N-methylcarbamate?
The InChIKey is KKENBQAWNSQYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)19(4)13-17-9-12(18-13)10-5-7-11(16)8-6-10/h5-9H,16H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[5-(4-aminophenyl)-1H-imidazol-2-yl]-N-methylcarbamate?
tert-butyl N-[5-(4-aminophenyl)-1H-imidazol-2-yl]-N-methylcarbamate has a molecular weight of 288.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(4-aminophenyl)-1H-imidazol-2-yl]-N-methylcarbamate is sourced from PubChem (CID 90784928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).