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

C20H29N3O2 — CID 112754038

IUPACtert-butyl N-[2-methyl-1-[3-[(2-methylphenyl)methyl]imidazol-4-yl]propan-2-yl]carbamate
SMILESCc1ccccc1Cn1cncc1CC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H29N3O2/c1-15-9-7-8-10-16(15)13-23-14-21-12-17(23)11-20(5,6)22-18(24)25-19(2,3)4/h7-10,12,14H,11,13H2,1-6H3,(H,22,24)
InChIKeyWQYJRJFVNCPORT-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.09
Rot. Bonds5

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

tert-butyl N-[2-methyl-1-[3-[(2-methylphenyl)methyl]imidazol-4-yl]propan-2-yl]carbamate (PubChem CID 112754038) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-[3-[(2-methylphenyl)methyl]imidazol-4-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-[3-[(2-methylphenyl)methyl]imidazol-4-yl]propan-2-yl]carbamate
PubChem CID112754038
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Nametert-butyl N-[2-methyl-1-[3-[(2-methylphenyl)methyl]imidazol-4-yl]propan-2-yl]carbamate
SMILESCc1ccccc1Cn1cncc1CC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H29N3O2/c1-15-9-7-8-10-16(15)13-23-14-21-12-17(23)11-20(5,6)22-18(24)25-19(2,3)4/h7-10,12,14H,11,13H2,1-6H3,(H,22,24)
InChIKeyWQYJRJFVNCPORT-UHFFFAOYSA-N
XLogP4.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[1-[3-(3-fluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate
CID 112754022
tert-butyl N-[2-methyl-1-[3-[(3-methylcyclohexyl)methyl]imidazol-4-yl]propan-2-yl]carbamate
CID 112754109
tert-butyl N-[2-methyl-1-[[N'-methyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]propan-2-yl]carbamate;hydroiodide
CID 111775671
tert-butyl N-[1-[3-(4-hydroxycyclohexyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate
CID 112754089
tert-butyl N-[2-[3-(pyridin-3-ylmethyl)imidazol-4-yl]ethyl]carbamate
CID 104952077
tert-butyl N-[(3-but-2-ynylimidazol-4-yl)methyl]carbamate
CID 114707490
tert-butyl N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 75994004
tert-butyl N-[2-[3-(2,2-difluoroethyl)imidazol-4-yl]propan-2-yl]carbamate
CID 114706880
ethyl 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazol-1-yl]acetate
CID 114704301
tert-butyl N-[2-(3-pentylimidazol-4-yl)propan-2-yl]carbamate
CID 114702676
tert-butyl N-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methyl]carbamate
CID 114703197

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-[3-[(2-methylphenyl)methyl]imidazol-4-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-[3-[(2-methylphenyl)methyl]imidazol-4-yl]propan-2-yl]carbamate (CID 112754038) is tert-butyl N-[2-methyl-1-[3-[(2-methylphenyl)methyl]imidazol-4-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-[3-[(2-methylphenyl)methyl]imidazol-4-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-[3-[(2-methylphenyl)methyl]imidazol-4-yl]propan-2-yl]carbamate is Cc1ccccc1Cn1cncc1CC(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methyl-1-[3-[(2-methylphenyl)methyl]imidazol-4-yl]propan-2-yl]carbamate?
The InChIKey is WQYJRJFVNCPORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-9-7-8-10-16(15)13-23-14-21-12-17(23)11-20(5,6)22-18(24)25-19(2,3)4/h7-10,12,14H,11,13H2,1-6H3,(H,22,24).
What are the key properties of tert-butyl N-[2-methyl-1-[3-[(2-methylphenyl)methyl]imidazol-4-yl]propan-2-yl]carbamate?
tert-butyl N-[2-methyl-1-[3-[(2-methylphenyl)methyl]imidazol-4-yl]propan-2-yl]carbamate has a molecular weight of 343.47 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-[3-[(2-methylphenyl)methyl]imidazol-4-yl]propan-2-yl]carbamate is sourced from PubChem (CID 112754038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).