(5R)-1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]imidazolidin-2-one

C21H15F3N4OS — CID 146422632

IUPAC(5R)-1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]imidazolidin-2-one
SMILESO=C1NC[C@@H](c2ccc(-c3ccc(C(F)(F)F)s3)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C21H15F3N4OS/c22-21(23,24)19-8-7-18(30-19)13-3-1-12(2-4-13)17-10-25-20(29)28(17)14-5-6-15-16(9-14)27-11-26-15/h1-9,11,17H,10H2,(H,25,29)(H,26,27)/t17-/m0/s1
InChIKeyQHCRSHGCXVPCRY-KRWDZBQOSA-N
MW428.44 g/mol
LogP5.58
Rot. Bonds3

About (5R)-1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]imidazolidin-2-one

(5R)-1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]imidazolidin-2-one (PubChem CID 146422632) has the molecular formula C21H15F3N4OS and a molecular weight of 428.44 g/mol. Its IUPAC name is (5R)-1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name(5R)-1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]imidazolidin-2-one
PubChem CID146422632
Molecular FormulaC21H15F3N4OS
Molecular Weight428.44 g/mol
Exact Mass428.09
IUPAC Name(5R)-1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]imidazolidin-2-one
SMILESO=C1NC[C@@H](c2ccc(-c3ccc(C(F)(F)F)s3)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C21H15F3N4OS/c22-21(23,24)19-8-7-18(30-19)13-3-1-12(2-4-13)17-10-25-20(29)28(17)14-5-6-15-16(9-14)27-11-26-15/h1-9,11,17H,10H2,(H,25,29)(H,26,27)/t17-/m0/s1
InChIKeyQHCRSHGCXVPCRY-KRWDZBQOSA-N
XLogP5.58
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.44
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]imidazolidin-2-one?
The IUPAC name of (5R)-1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]imidazolidin-2-one (CID 146422632) is (5R)-1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for (5R)-1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for (5R)-1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]imidazolidin-2-one is O=C1NC[C@@H](c2ccc(-c3ccc(C(F)(F)F)s3)cc2)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of (5R)-1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]imidazolidin-2-one?
The InChIKey is QHCRSHGCXVPCRY-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H15F3N4OS/c22-21(23,24)19-8-7-18(30-19)13-3-1-12(2-4-13)17-10-25-20(29)28(17)14-5-6-15-16(9-14)27-11-26-15/h1-9,11,17H,10H2,(H,25,29)(H,26,27)/t17-/m0/s1.
What are the key properties of (5R)-1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]imidazolidin-2-one?
(5R)-1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]imidazolidin-2-one has a molecular weight of 428.44 g/mol, XLogP of 5.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 146422632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).