N-[(1R)-1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide

C27H24FN5O3 — CID 56954240

IUPACN-[(1R)-1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide
SMILESO=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)c1nc2ccc(Oc3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C27H24FN5O3/c28-19-6-8-21(9-7-19)36-22-10-11-23-24(13-22)33-27(32-23)25(16-35-15-18-4-2-1-3-5-18)31-26(34)12-20-14-29-17-30-20/h1-11,13-14,17,25H,12,15-16H2,(H,29,30)(H,31,34)(H,32,33)/t25-/m0/s1
InChIKeyUMQPSIJUDQZAGS-VWLOTQADSA-N
MW485.52 g/mol
LogP4.83
Rot. Bonds10

About N-[(1R)-1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide

N-[(1R)-1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide (PubChem CID 56954240) has the molecular formula C27H24FN5O3 and a molecular weight of 485.52 g/mol. Its IUPAC name is N-[(1R)-1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide
PubChem CID56954240
Molecular FormulaC27H24FN5O3
Molecular Weight485.52 g/mol
Exact Mass485.19
IUPAC NameN-[(1R)-1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide
SMILESO=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)c1nc2ccc(Oc3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C27H24FN5O3/c28-19-6-8-21(9-7-19)36-22-10-11-23-24(13-22)33-27(32-23)25(16-35-15-18-4-2-1-3-5-18)31-26(34)12-20-14-29-17-30-20/h1-11,13-14,17,25H,12,15-16H2,(H,29,30)(H,31,34)(H,32,33)/t25-/m0/s1
InChIKeyUMQPSIJUDQZAGS-VWLOTQADSA-N
XLogP4.83
TPSA104.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N-[(1R)-1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide (CID 56954240) is N-[(1R)-1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N-[(1R)-1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide is O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)c1nc2ccc(Oc3ccc(F)cc3)cc2[nH]1.
What is the InChIKey of N-[(1R)-1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is UMQPSIJUDQZAGS-VWLOTQADSA-N. The full InChI is InChI=1S/C27H24FN5O3/c28-19-6-8-21(9-7-19)36-22-10-11-23-24(13-22)33-27(32-23)25(16-35-15-18-4-2-1-3-5-18)31-26(34)12-20-14-29-17-30-20/h1-11,13-14,17,25H,12,15-16H2,(H,29,30)(H,31,34)(H,32,33)/t25-/m0/s1.
What are the key properties of N-[(1R)-1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide?
N-[(1R)-1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide has a molecular weight of 485.52 g/mol, XLogP of 4.83, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 56954240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).