benzyl N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylcarbamate

C19H21N3O2 — CID 57342163

IUPACbenzyl N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylcarbamate
SMILESCN(Cc1ccc(C2=NCCN2)cc1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-22(19(23)24-14-16-5-3-2-4-6-16)13-15-7-9-17(10-8-15)18-20-11-12-21-18/h2-10H,11-14H2,1H3,(H,20,21)
InChIKeyBIHUDGXHAZNILX-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.81
Rot. Bonds5

About benzyl N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylcarbamate

benzyl N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylcarbamate (PubChem CID 57342163) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is benzyl N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylcarbamate
PubChem CID57342163
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Namebenzyl N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylcarbamate
SMILESCN(Cc1ccc(C2=NCCN2)cc1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-22(19(23)24-14-16-5-3-2-4-6-16)13-15-7-9-17(10-8-15)18-20-11-12-21-18/h2-10H,11-14H2,1H3,(H,20,21)
InChIKeyBIHUDGXHAZNILX-UHFFFAOYSA-N
XLogP2.81
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylcarbamate?
The IUPAC name of benzyl N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylcarbamate (CID 57342163) is benzyl N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylcarbamate is CN(Cc1ccc(C2=NCCN2)cc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylcarbamate?
The InChIKey is BIHUDGXHAZNILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-22(19(23)24-14-16-5-3-2-4-6-16)13-15-7-9-17(10-8-15)18-20-11-12-21-18/h2-10H,11-14H2,1H3,(H,20,21).
What are the key properties of benzyl N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylcarbamate?
benzyl N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylcarbamate has a molecular weight of 323.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 57342163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).