tert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate

C17H23N3O3 — CID 71279113

IUPACtert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate
SMILESCOc1ccccc1-c1cnc(CCNC(=O)OC(C)(C)C)[nH]1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)23-16(21)18-10-9-15-19-11-13(20-15)12-7-5-6-8-14(12)22-4/h5-8,11H,9-10H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyMDWUXICCIWSCIC-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.15
Rot. Bonds5

About tert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate

tert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate (PubChem CID 71279113) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate
PubChem CID71279113
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Nametert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate
SMILESCOc1ccccc1-c1cnc(CCNC(=O)OC(C)(C)C)[nH]1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)23-16(21)18-10-9-15-19-11-13(20-15)12-7-5-6-8-14(12)22-4/h5-8,11H,9-10H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyMDWUXICCIWSCIC-UHFFFAOYSA-N
XLogP3.15
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878678
tert-butyl N-[2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 102970592
2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole
CID 116878237
tert-butyl (E)-3-[4-[[5-(2-methoxyphenyl)-1H-imidazol-2-yl]methyl]phenyl]prop-2-enoate
CID 58740877
tert-butyl N-[1-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]heptyl]carbamate
CID 90777613
tert-butyl N-[2-[2-(5-fluoro-2-methoxyphenyl)-1H-imidazol-5-yl]ethyl]carbamate
CID 101450134
[5-(2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 43649243
tert-butyl N-[2-(3-methyl-1,4-dioxonaphthalen-2-yl)ethyl]carbamate
CID 10852825
tert-butyl N-[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]butyl]carbamate
CID 91372126
tert-butyl N-[2-(2-butyl-1H-imidazol-5-yl)ethyl]carbamate
CID 22414662
3-methoxy-2,2-dimethyl-N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
CID 136560243
2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 95467419

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate (CID 71279113) is tert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate is COc1ccccc1-c1cnc(CCNC(=O)OC(C)(C)C)[nH]1.
What is the InChIKey of tert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate?
The InChIKey is MDWUXICCIWSCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-17(2,3)23-16(21)18-10-9-15-19-11-13(20-15)12-7-5-6-8-14(12)22-4/h5-8,11H,9-10H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of tert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate?
tert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate has a molecular weight of 317.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 71279113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).