3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide

C30H25F6N3O2 — CID 163338325

IUPAC3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C30H25F6N3O2/c31-29(32,33)22-13-21(14-23(15-22)30(34,35)36)20-9-11-24(12-10-20)39-18-37-16-26(39)28(40)38-25-7-4-8-27(25)41-17-19-5-2-1-3-6-19/h1-3,5-6,9-16,18,25,27H,4,7-8,17H2,(H,38,40)/t25-,27-/m0/s1
InChIKeyOAZRQDFVKIGKJM-BDYUSTAISA-N
MW573.54 g/mol
LogP7.44
Rot. Bonds7

About 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide

3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide (PubChem CID 163338325) has the molecular formula C30H25F6N3O2 and a molecular weight of 573.54 g/mol. Its IUPAC name is 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide
PubChem CID163338325
Molecular FormulaC30H25F6N3O2
Molecular Weight573.54 g/mol
Exact Mass573.19
IUPAC Name3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C30H25F6N3O2/c31-29(32,33)22-13-21(14-23(15-22)30(34,35)36)20-9-11-24(12-10-20)39-18-37-16-26(39)28(40)38-25-7-4-8-27(25)41-17-19-5-2-1-3-6-19/h1-3,5-6,9-16,18,25,27H,4,7-8,17H2,(H,38,40)/t25-,27-/m0/s1
InChIKeyOAZRQDFVKIGKJM-BDYUSTAISA-N
XLogP7.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.54
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide?
The IUPAC name of 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide (CID 163338325) is 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide?
The canonical SMILES for 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide is O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide?
The InChIKey is OAZRQDFVKIGKJM-BDYUSTAISA-N. The full InChI is InChI=1S/C30H25F6N3O2/c31-29(32,33)22-13-21(14-23(15-22)30(34,35)36)20-9-11-24(12-10-20)39-18-37-16-26(39)28(40)38-25-7-4-8-27(25)41-17-19-5-2-1-3-6-19/h1-3,5-6,9-16,18,25,27H,4,7-8,17H2,(H,38,40)/t25-,27-/m0/s1.
What are the key properties of 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide?
3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide has a molecular weight of 573.54 g/mol, XLogP of 7.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]imidazole-4-carboxamide is sourced from PubChem (CID 163338325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).