N-[1-(4-tert-butylphenyl)ethyl]imidazole-1-carboxamide

C16H21N3O — CID 81257953

IUPACN-[1-(4-tert-butylphenyl)ethyl]imidazole-1-carboxamide
SMILESCC(NC(=O)n1ccnc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H21N3O/c1-12(18-15(20)19-10-9-17-11-19)13-5-7-14(8-6-13)16(2,3)4/h5-12H,1-4H3,(H,18,20)
InChIKeyLSVWZLFDPVTICB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.50
Rot. Bonds2

About N-[1-(4-tert-butylphenyl)ethyl]imidazole-1-carboxamide

N-[1-(4-tert-butylphenyl)ethyl]imidazole-1-carboxamide (PubChem CID 81257953) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]imidazole-1-carboxamide
PubChem CID81257953
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]imidazole-1-carboxamide
SMILESCC(NC(=O)n1ccnc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H21N3O/c1-12(18-15(20)19-10-9-17-11-19)13-5-7-14(8-6-13)16(2,3)4/h5-12H,1-4H3,(H,18,20)
InChIKeyLSVWZLFDPVTICB-UHFFFAOYSA-N
XLogP3.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazole-1-carboxamide
CID 81258195
N-[1-(1,3-benzodioxol-5-yl)ethyl]imidazole-1-carboxamide
CID 81257632
N-[(1S)-1-(3-methoxyphenyl)ethyl]imidazole-1-carboxamide
CID 81373091
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020442
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
N-[(1R)-1-(2-bromophenyl)ethyl]imidazole-1-carboxamide
CID 81397436
N-[1-(4-tert-butylphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60543582
2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25352795
N-[1-(2H-tetrazol-5-yl)ethyl]imidazole-1-carboxamide
CID 81270154
N-[(2R)-1-amino-1-oxopropan-2-yl]imidazole-1-carboxamide
CID 126980828
N-[(2S)-butan-2-yl]imidazole-1-carboxamide
CID 39871202

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]imidazole-1-carboxamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]imidazole-1-carboxamide (CID 81257953) is N-[1-(4-tert-butylphenyl)ethyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]imidazole-1-carboxamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]imidazole-1-carboxamide is CC(NC(=O)n1ccnc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]imidazole-1-carboxamide?
The InChIKey is LSVWZLFDPVTICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(18-15(20)19-10-9-17-11-19)13-5-7-14(8-6-13)16(2,3)4/h5-12H,1-4H3,(H,18,20).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]imidazole-1-carboxamide?
N-[1-(4-tert-butylphenyl)ethyl]imidazole-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]imidazole-1-carboxamide is sourced from PubChem (CID 81257953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).