(3R)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide

C23H19ClFN3O2 — CID 118938180

IUPAC(3R)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide
SMILESC[C@@](O)(CC(=O)Nc1nc2ccc(Cl)cc2n1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C23H19ClFN3O2/c1-23(30,15-5-3-2-4-6-15)14-21(29)27-22-26-19-12-7-16(24)13-20(19)28(22)18-10-8-17(25)9-11-18/h2-13,30H,14H2,1H3,(H,26,27,29)/t23-/m1/s1
InChIKeyFWRVASPVJCTAPQ-HSZRJFAPSA-N
MW423.88 g/mol
LogP5.05
Rot. Bonds5

About (3R)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide

(3R)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide (PubChem CID 118938180) has the molecular formula C23H19ClFN3O2 and a molecular weight of 423.88 g/mol. Its IUPAC name is (3R)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide
PubChem CID118938180
Molecular FormulaC23H19ClFN3O2
Molecular Weight423.88 g/mol
Exact Mass423.11
IUPAC Name(3R)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide
SMILESC[C@@](O)(CC(=O)Nc1nc2ccc(Cl)cc2n1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C23H19ClFN3O2/c1-23(30,15-5-3-2-4-6-15)14-21(29)27-22-26-19-12-7-16(24)13-20(19)28(22)18-10-8-17(25)9-11-18/h2-13,30H,14H2,1H3,(H,26,27,29)/t23-/m1/s1
InChIKeyFWRVASPVJCTAPQ-HSZRJFAPSA-N
XLogP5.05
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.88
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide?
The IUPAC name of (3R)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide (CID 118938180) is (3R)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for (3R)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for (3R)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide is C[C@@](O)(CC(=O)Nc1nc2ccc(Cl)cc2n1-c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (3R)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide?
The InChIKey is FWRVASPVJCTAPQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H19ClFN3O2/c1-23(30,15-5-3-2-4-6-15)14-21(29)27-22-26-19-12-7-16(24)13-20(19)28(22)18-10-8-17(25)9-11-18/h2-13,30H,14H2,1H3,(H,26,27,29)/t23-/m1/s1.
What are the key properties of (3R)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide?
(3R)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide has a molecular weight of 423.88 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[6-chloro-1-(4-fluorophenyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 118938180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).