ethyl N-[3-chloro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-N-methylcarbamate

C15H18ClN3O2 — CID 174435806

IUPACethyl N-[3-chloro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)c1ccc(Cn2ccnc2C)c(Cl)c1
InChIInChI=1S/C15H18ClN3O2/c1-4-21-15(20)18(3)13-6-5-12(14(16)9-13)10-19-8-7-17-11(19)2/h5-9H,4,10H2,1-3H3
InChIKeyUIBNRNBPJADKNV-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.49
Rot. Bonds4

About ethyl N-[3-chloro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-N-methylcarbamate

ethyl N-[3-chloro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-N-methylcarbamate (PubChem CID 174435806) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is ethyl N-[3-chloro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[3-chloro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-N-methylcarbamate
PubChem CID174435806
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Nameethyl N-[3-chloro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)c1ccc(Cn2ccnc2C)c(Cl)c1
InChIInChI=1S/C15H18ClN3O2/c1-4-21-15(20)18(3)13-6-5-12(14(16)9-13)10-19-8-7-17-11(19)2/h5-9H,4,10H2,1-3H3
InChIKeyUIBNRNBPJADKNV-UHFFFAOYSA-N
XLogP3.49
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl N-[3-chloro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-chloro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[3-chloro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-N-methylcarbamate (CID 174435806) is ethyl N-[3-chloro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[3-chloro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[3-chloro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-N-methylcarbamate is CCOC(=O)N(C)c1ccc(Cn2ccnc2C)c(Cl)c1.
What is the InChIKey of ethyl N-[3-chloro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-N-methylcarbamate?
The InChIKey is UIBNRNBPJADKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-4-21-15(20)18(3)13-6-5-12(14(16)9-13)10-19-8-7-17-11(19)2/h5-9H,4,10H2,1-3H3.
What are the key properties of ethyl N-[3-chloro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-N-methylcarbamate?
ethyl N-[3-chloro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-N-methylcarbamate has a molecular weight of 307.78 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-chloro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-N-methylcarbamate is sourced from PubChem (CID 174435806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).