tert-butyl N-[1-[3-(3-fluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate

C19H26FN3O2 — CID 112754022

IUPACtert-butyl N-[1-[3-(3-fluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate
SMILESCc1ccc(-n2cncc2CC(C)(C)NC(=O)OC(C)(C)C)cc1F
InChIInChI=1S/C19H26FN3O2/c1-13-7-8-14(9-16(13)20)23-12-21-11-15(23)10-19(5,6)22-17(24)25-18(2,3)4/h7-9,11-12H,10H2,1-6H3,(H,22,24)
InChIKeyPCCAHFAQGIMZRW-UHFFFAOYSA-N
MW347.43 g/mol
LogP4.17
Rot. Bonds4

About tert-butyl N-[1-[3-(3-fluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[3-(3-fluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate (PubChem CID 112754022) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is tert-butyl N-[1-[3-(3-fluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-(3-fluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate
PubChem CID112754022
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Nametert-butyl N-[1-[3-(3-fluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate
SMILESCc1ccc(-n2cncc2CC(C)(C)NC(=O)OC(C)(C)C)cc1F
InChIInChI=1S/C19H26FN3O2/c1-13-7-8-14(9-16(13)20)23-12-21-11-15(23)10-19(5,6)22-17(24)25-18(2,3)4/h7-9,11-12H,10H2,1-6H3,(H,22,24)
InChIKeyPCCAHFAQGIMZRW-UHFFFAOYSA-N
XLogP4.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[3-(3-fluoro-4-methylphenyl)imidazol-4-yl]ethyl]carbamate
CID 104952043
tert-butyl N-[2-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethyl]carbamate
CID 104952049
tert-butyl N-[2-methyl-1-[3-[(2-methylphenyl)methyl]imidazol-4-yl]propan-2-yl]carbamate
CID 112754038
tert-butyl N-[2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethyl]carbamate
CID 104952037
tert-butyl N-[1-[3-(4-hydroxycyclohexyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate
CID 112754089
tert-butyl N-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-methylpropan-2-yl]carbamate
CID 103788216
tert-butyl N-[2-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]propan-2-yl]carbamate
CID 112754046
tert-butyl N-[2-[3-(2,4-dimethylphenyl)imidazol-4-yl]ethyl]carbamate
CID 104952009
tert-butyl N-[2-[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]ethyl]carbamate
CID 104952013
tert-butyl N-[2-methyl-1-[3-[(3-methylcyclohexyl)methyl]imidazol-4-yl]propan-2-yl]carbamate
CID 112754109
N-[[3-(4-ethoxy-3-fluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107447060
tert-butyl N-[[3-(1H-pyrazol-4-yl)imidazol-4-yl]methyl]carbamate
CID 114704125

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-(3-fluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-(3-fluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate (CID 112754022) is tert-butyl N-[1-[3-(3-fluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-(3-fluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-(3-fluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate is Cc1ccc(-n2cncc2CC(C)(C)NC(=O)OC(C)(C)C)cc1F.
What is the InChIKey of tert-butyl N-[1-[3-(3-fluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate?
The InChIKey is PCCAHFAQGIMZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-13-7-8-14(9-16(13)20)23-12-21-11-15(23)10-19(5,6)22-17(24)25-18(2,3)4/h7-9,11-12H,10H2,1-6H3,(H,22,24).
What are the key properties of tert-butyl N-[1-[3-(3-fluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[3-(3-fluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate has a molecular weight of 347.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-(3-fluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 112754022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).