benzyl N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]carbamate

C23H27N3O2 — CID 10270952

IUPACbenzyl N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
SMILESCC(C)(C)c1ccc(-c2cnc(CCNC(=O)OCc3ccccc3)[nH]2)cc1
InChIInChI=1S/C23H27N3O2/c1-23(2,3)19-11-9-18(10-12-19)20-15-25-21(26-20)13-14-24-22(27)28-16-17-7-5-4-6-8-17/h4-12,15H,13-14,16H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyJKENQLAIIAGPSK-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.84
Rot. Bonds6

About benzyl N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]carbamate

benzyl N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]carbamate (PubChem CID 10270952) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is benzyl N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
PubChem CID10270952
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Namebenzyl N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
SMILESCC(C)(C)c1ccc(-c2cnc(CCNC(=O)OCc3ccccc3)[nH]2)cc1
InChIInChI=1S/C23H27N3O2/c1-23(2,3)19-11-9-18(10-12-19)20-15-25-21(26-20)13-14-24-22(27)28-16-17-7-5-4-6-8-17/h4-12,15H,13-14,16H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyJKENQLAIIAGPSK-UHFFFAOYSA-N
XLogP4.84
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

butyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 16725892
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(5-phenyl-1H-imidazol-2-yl)butanoate
CID 20739798
3-methoxy-2,2-dimethyl-N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
CID 136560243
cyclobutylmethyl N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 67214697
N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60867861
tert-butyl N-[2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 102970592
cyclohexylmethyl N-[2-[5-[4-(diethylamino)phenyl]-1H-imidazol-2-yl]ethyl]carbamate
CID 67214395
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
2-[5-[4-(2-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 68885650
tert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 71279113
benzyl N-[[5-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]-1H-imidazol-2-yl]methyl]-N-propylcarbamate
CID 130414858
2-[5-[4-(4-methylsulfanylphenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 68886449

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]carbamate (CID 10270952) is benzyl N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]carbamate is CC(C)(C)c1ccc(-c2cnc(CCNC(=O)OCc3ccccc3)[nH]2)cc1.
What is the InChIKey of benzyl N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]carbamate?
The InChIKey is JKENQLAIIAGPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-23(2,3)19-11-9-18(10-12-19)20-15-25-21(26-20)13-14-24-22(27)28-16-17-7-5-4-6-8-17/h4-12,15H,13-14,16H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of benzyl N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]carbamate?
benzyl N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]carbamate has a molecular weight of 377.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 10270952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).