methyl N-[5-(2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate

C13H17N3O2 — CID 22756557

IUPACmethyl N-[5-(2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
SMILESCOC(=O)NC1=NCC(c2cccc(C)c2C)N1
InChIInChI=1S/C13H17N3O2/c1-8-5-4-6-10(9(8)2)11-7-14-12(15-11)16-13(17)18-3/h4-6,11H,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyYTRMMDLFEDZUMJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.66
Rot. Bonds1

About methyl N-[5-(2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate

methyl N-[5-(2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate (PubChem CID 22756557) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is methyl N-[5-(2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
PubChem CID22756557
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Namemethyl N-[5-(2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
SMILESCOC(=O)NC1=NCC(c2cccc(C)c2C)N1
InChIInChI=1S/C13H17N3O2/c1-8-5-4-6-10(9(8)2)11-7-14-12(15-11)16-13(17)18-3/h4-6,11H,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyYTRMMDLFEDZUMJ-UHFFFAOYSA-N
XLogP1.66
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
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(2R)-2-(2,3-dimethylphenyl)azetidine
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2-(2,3-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 81008692
methyl N-[2-[3,5-dibenzoyl-4-(2,3-dimethylphenyl)piperidin-1-yl]ethyl]carbamate
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2-(2,3-dimethylphenyl)-N,N-dimethylpiperidin-4-amine
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1-cyclopropyl-2,3-dimethylbenzene;ethane;formic acid
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methyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate
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CID 175129828

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-(2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate (CID 22756557) is methyl N-[5-(2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-(2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-(2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate is COC(=O)NC1=NCC(c2cccc(C)c2C)N1.
What is the InChIKey of methyl N-[5-(2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
The InChIKey is YTRMMDLFEDZUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-5-4-6-10(9(8)2)11-7-14-12(15-11)16-13(17)18-3/h4-6,11H,7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of methyl N-[5-(2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate?
methyl N-[5-(2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate has a molecular weight of 247.30 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate is sourced from PubChem (CID 22756557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).