N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide

C28H28BrN3O — CID 92818884

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide
SMILESCCCCc1ccc(-c2ccc(-n3cncc3C(=O)N[C@H](C)c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C28H28BrN3O/c1-3-4-5-21-6-8-23(9-7-21)24-12-16-26(17-13-24)32-19-30-18-27(32)28(33)31-20(2)22-10-14-25(29)15-11-22/h6-20H,3-5H2,1-2H3,(H,31,33)/t20-/m1/s1
InChIKeyPOBNRKKLENALJR-HXUWFJFHSA-N
MW502.46 g/mol
LogP7.14
Rot. Bonds8

About N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide

N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide (PubChem CID 92818884) has the molecular formula C28H28BrN3O and a molecular weight of 502.46 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide
PubChem CID92818884
Molecular FormulaC28H28BrN3O
Molecular Weight502.46 g/mol
Exact Mass501.14
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide
SMILESCCCCc1ccc(-c2ccc(-n3cncc3C(=O)N[C@H](C)c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C28H28BrN3O/c1-3-4-5-21-6-8-23(9-7-21)24-12-16-26(17-13-24)32-19-30-18-27(32)28(33)31-20(2)22-10-14-25(29)15-11-22/h6-20H,3-5H2,1-2H3,(H,31,33)/t20-/m1/s1
InChIKeyPOBNRKKLENALJR-HXUWFJFHSA-N
XLogP7.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.46
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide
CID 46102042
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 92773011
N-[1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 46081366
3-[4-(4-butylphenyl)phenyl]-N-(3,3-dimethylbutyl)imidazole-4-carboxamide
CID 46103152
3-[4-(4-butylphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 24720807
3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide
CID 92767435
3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide
CID 39949661
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide
CID 30969685
3-[4-(3,4-difluorophenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide
CID 46103182
3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide
CID 30969676
N-[(2R)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 92762304
4-bromo-N-[1-(4-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide
CID 63529149

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide (CID 92818884) is N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide is CCCCc1ccc(-c2ccc(-n3cncc3C(=O)N[C@H](C)c3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide?
The InChIKey is POBNRKKLENALJR-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H28BrN3O/c1-3-4-5-21-6-8-23(9-7-21)24-12-16-26(17-13-24)32-19-30-18-27(32)28(33)31-20(2)22-10-14-25(29)15-11-22/h6-20H,3-5H2,1-2H3,(H,31,33)/t20-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide has a molecular weight of 502.46 g/mol, XLogP of 7.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 92818884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).