2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclopentyl]imidazole-4-carboxamide

C21H19Cl2N3O2 — CID 10112572

IUPAC2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclopentyl]imidazole-4-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C21H19Cl2N3O2/c22-13-8-10-14(11-9-13)26-12-18(21(28)25-17-6-3-7-19(17)27)24-20(26)15-4-1-2-5-16(15)23/h1-2,4-5,8-12,17,19,27H,3,6-7H2,(H,25,28)/t17-,19-/m0/s1
InChIKeyOWLDJASELBBGJT-HKUYNNGSSA-N
MW416.31 g/mol
LogP4.49
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclopentyl]imidazole-4-carboxamide

2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclopentyl]imidazole-4-carboxamide (PubChem CID 10112572) has the molecular formula C21H19Cl2N3O2 and a molecular weight of 416.31 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclopentyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclopentyl]imidazole-4-carboxamide
PubChem CID10112572
Molecular FormulaC21H19Cl2N3O2
Molecular Weight416.31 g/mol
Exact Mass415.09
IUPAC Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclopentyl]imidazole-4-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C21H19Cl2N3O2/c22-13-8-10-14(11-9-13)26-12-18(21(28)25-17-6-3-7-19(17)27)24-20(26)15-4-1-2-5-16(15)23/h1-2,4-5,8-12,17,19,27H,3,6-7H2,(H,25,28)/t17-,19-/m0/s1
InChIKeyOWLDJASELBBGJT-HKUYNNGSSA-N
XLogP4.49
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclopentyl]imidazole-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclopentyl]imidazole-4-carboxamide (CID 10112572) is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclopentyl]imidazole-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclopentyl]imidazole-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclopentyl]imidazole-4-carboxamide is O=C(N[C@H]1CCC[C@@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclopentyl]imidazole-4-carboxamide?
The InChIKey is OWLDJASELBBGJT-HKUYNNGSSA-N. The full InChI is InChI=1S/C21H19Cl2N3O2/c22-13-8-10-14(11-9-13)26-12-18(21(28)25-17-6-3-7-19(17)27)24-20(26)15-4-1-2-5-16(15)23/h1-2,4-5,8-12,17,19,27H,3,6-7H2,(H,25,28)/t17-,19-/m0/s1.
What are the key properties of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclopentyl]imidazole-4-carboxamide?
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclopentyl]imidazole-4-carboxamide has a molecular weight of 416.31 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclopentyl]imidazole-4-carboxamide is sourced from PubChem (CID 10112572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).