butyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate

C22H25N3O2 — CID 16725892

IUPACbutyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
SMILESCCCCOC(=O)NCCc1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1
InChIInChI=1S/C22H25N3O2/c1-2-3-15-27-22(26)23-14-13-21-24-16-20(25-21)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,16H,2-3,13-15H2,1H3,(H,23,26)(H,24,25)
InChIKeyFHSPYURXUUPIND-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.81
Rot. Bonds8

About butyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate

butyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate (PubChem CID 16725892) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is butyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Namebutyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
PubChem CID16725892
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Namebutyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
SMILESCCCCOC(=O)NCCc1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1
InChIInChI=1S/C22H25N3O2/c1-2-3-15-27-22(26)23-14-13-21-24-16-20(25-21)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,16H,2-3,13-15H2,1H3,(H,23,26)(H,24,25)
InChIKeyFHSPYURXUUPIND-UHFFFAOYSA-N
XLogP4.81
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl N-[2-[5-[4-(2,3-difluorophenyl)phenyl]-1H-imidazol-2-yl]ethyl]carbamate
CID 67214941
benzyl N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 10270952
3-methoxy-2,2-dimethyl-N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
CID 136560243
2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 67370873
2-[5-[4-(4-methylsulfanylphenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 68886449
methyl 3-(5-phenyl-1H-imidazol-2-yl)propanoate
CID 116880424
cyclobutylmethyl N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 67214697
cyclohexylmethyl N-[2-[5-[4-(diethylamino)phenyl]-1H-imidazol-2-yl]ethyl]carbamate
CID 67214395
2-[5-[4-(2-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 68885650
butyl N-[2-[(2-phenoxyacetyl)amino]ethyl]carbamate
CID 108573944
N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propan-2-amine
CID 60852746
2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 68887507

Frequently Asked Questions

What is the IUPAC name of butyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate?
The IUPAC name of butyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate (CID 16725892) is butyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate.
What is the SMILES notation for butyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate?
The canonical SMILES for butyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate is CCCCOC(=O)NCCc1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1.
What is the InChIKey of butyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate?
The InChIKey is FHSPYURXUUPIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-2-3-15-27-22(26)23-14-13-21-24-16-20(25-21)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,16H,2-3,13-15H2,1H3,(H,23,26)(H,24,25).
What are the key properties of butyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate?
butyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate has a molecular weight of 363.46 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 16725892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).