methyl N-[5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate

C14H19N3O2 — CID 23275077

IUPACmethyl N-[5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
SMILESCOC(=O)NC1=NCC(c2ccc(C(C)C)cc2)N1
InChIInChI=1S/C14H19N3O2/c1-9(2)10-4-6-11(7-5-10)12-8-15-13(16-12)17-14(18)19-3/h4-7,9,12H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyHDEKOAWKWLFGSC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.17
Rot. Bonds2

About methyl N-[5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate

methyl N-[5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate (PubChem CID 23275077) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl N-[5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
PubChem CID23275077
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Namemethyl N-[5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
SMILESCOC(=O)NC1=NCC(c2ccc(C(C)C)cc2)N1
InChIInChI=1S/C14H19N3O2/c1-9(2)10-4-6-11(7-5-10)12-8-15-13(16-12)17-14(18)19-3/h4-7,9,12H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyHDEKOAWKWLFGSC-UHFFFAOYSA-N
XLogP2.17
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate (CID 23275077) is methyl N-[5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate is COC(=O)NC1=NCC(c2ccc(C(C)C)cc2)N1.
What is the InChIKey of methyl N-[5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The InChIKey is HDEKOAWKWLFGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(2)10-4-6-11(7-5-10)12-8-15-13(16-12)17-14(18)19-3/h4-7,9,12H,8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of methyl N-[5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
methyl N-[5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate has a molecular weight of 261.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate is sourced from PubChem (CID 23275077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).