1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide

C24H25BrClN3O2 — CID 10141881

IUPAC1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide
SMILESCCc1c(C(=O)N[C@H]2CCCC[C@@H]2O)nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C24H25BrClN3O2/c1-2-20-22(24(31)27-19-9-5-6-10-21(19)30)28-23(17-7-3-4-8-18(17)26)29(20)16-13-11-15(25)12-14-16/h3-4,7-8,11-14,19,21,30H,2,5-6,9-10H2,1H3,(H,27,31)/t19-,21-/m0/s1
InChIKeyCOJKTNQUODKGBZ-FPOVZHCZSA-N
MW502.84 g/mol
LogP5.55
Rot. Bonds5

About 1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide

1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide (PubChem CID 10141881) has the molecular formula C24H25BrClN3O2 and a molecular weight of 502.84 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide
PubChem CID10141881
Molecular FormulaC24H25BrClN3O2
Molecular Weight502.84 g/mol
Exact Mass501.08
IUPAC Name1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide
SMILESCCc1c(C(=O)N[C@H]2CCCC[C@@H]2O)nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C24H25BrClN3O2/c1-2-20-22(24(31)27-19-9-5-6-10-21(19)30)28-23(17-7-3-4-8-18(17)26)29(20)16-13-11-15(25)12-14-16/h3-4,7-8,11-14,19,21,30H,2,5-6,9-10H2,1H3,(H,27,31)/t19-,21-/m0/s1
InChIKeyCOJKTNQUODKGBZ-FPOVZHCZSA-N
XLogP5.55
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.84
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide (CID 10141881) is 1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide is CCc1c(C(=O)N[C@H]2CCCC[C@@H]2O)nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide?
The InChIKey is COJKTNQUODKGBZ-FPOVZHCZSA-N. The full InChI is InChI=1S/C24H25BrClN3O2/c1-2-20-22(24(31)27-19-9-5-6-10-21(19)30)28-23(17-7-3-4-8-18(17)26)29(20)16-13-11-15(25)12-14-16/h3-4,7-8,11-14,19,21,30H,2,5-6,9-10H2,1H3,(H,27,31)/t19-,21-/m0/s1.
What are the key properties of 1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide?
1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide has a molecular weight of 502.84 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide is sourced from PubChem (CID 10141881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).