N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide

C25H22BrN3O — CID 92773011

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
SMILESCc1ccccc1-c1ccc(-n2cncc2C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C25H22BrN3O/c1-17-5-3-4-6-23(17)20-9-13-22(14-10-20)29-16-27-15-24(29)25(30)28-18(2)19-7-11-21(26)12-8-19/h3-16,18H,1-2H3,(H,28,30)/t18-/m0/s1
InChIKeyKGVYZRPOONTZSN-SFHVURJKSA-N
MW460.38 g/mol
LogP6.10
Rot. Bonds5

About N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide

N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide (PubChem CID 92773011) has the molecular formula C25H22BrN3O and a molecular weight of 460.38 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
PubChem CID92773011
Molecular FormulaC25H22BrN3O
Molecular Weight460.38 g/mol
Exact Mass459.09
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
SMILESCc1ccccc1-c1ccc(-n2cncc2C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C25H22BrN3O/c1-17-5-3-4-6-23(17)20-9-13-22(14-10-20)29-16-27-15-24(29)25(30)28-18(2)19-7-11-21(26)12-8-19/h3-16,18H,1-2H3,(H,28,30)/t18-/m0/s1
InChIKeyKGVYZRPOONTZSN-SFHVURJKSA-N
XLogP6.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.38
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 46081366
N-[(2R)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 92762304
N-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 92762305
N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(4-butylphenyl)phenyl]imidazole-4-carboxamide
CID 92818884
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide
CID 30969685
3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide
CID 39949661
methyl (2S)-2-[(3-phenylimidazole-4-carbonyl)amino]propanoate
CID 87040197
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide
CID 93033612
N-[1-(4-bromophenyl)ethyl]isoquinoline-4-carboxamide
CID 87023885
(2S)-3-hydroxy-2-[(3-phenylimidazole-4-carbonyl)amino]propanoic acid
CID 61153195
3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide
CID 30969676

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide (CID 92773011) is N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide is Cc1ccccc1-c1ccc(-n2cncc2C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide?
The InChIKey is KGVYZRPOONTZSN-SFHVURJKSA-N. The full InChI is InChI=1S/C25H22BrN3O/c1-17-5-3-4-6-23(17)20-9-13-22(14-10-20)29-16-27-15-24(29)25(30)28-18(2)19-7-11-21(26)12-8-19/h3-16,18H,1-2H3,(H,28,30)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide?
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide has a molecular weight of 460.38 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 92773011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).