(2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide

C28H28Cl2N4O2 — CID 93301455

IUPAC(2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
SMILESO=C(NCCN1CCOCC1)[C@@H](c1ccccc1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21
InChIInChI=1S/C28H28Cl2N4O2/c29-22-9-6-10-23(30)21(22)19-26-32-24-11-4-5-12-25(24)34(26)27(20-7-2-1-3-8-20)28(35)31-13-14-33-15-17-36-18-16-33/h1-12,27H,13-19H2,(H,31,35)/t27-/m1/s1
InChIKeyFOXOPUMPFCWBLS-HHHXNRCGSA-N
MW523.46 g/mol
LogP4.97
Rot. Bonds8

About (2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide

(2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide (PubChem CID 93301455) has the molecular formula C28H28Cl2N4O2 and a molecular weight of 523.46 g/mol. Its IUPAC name is (2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
PubChem CID93301455
Molecular FormulaC28H28Cl2N4O2
Molecular Weight523.46 g/mol
Exact Mass522.16
IUPAC Name(2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
SMILESO=C(NCCN1CCOCC1)[C@@H](c1ccccc1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21
InChIInChI=1S/C28H28Cl2N4O2/c29-22-9-6-10-23(30)21(22)19-26-32-24-11-4-5-12-25(24)34(26)27(20-7-2-1-3-8-20)28(35)31-13-14-33-15-17-36-18-16-33/h1-12,27H,13-19H2,(H,31,35)/t27-/m1/s1
InChIKeyFOXOPUMPFCWBLS-HHHXNRCGSA-N
XLogP4.97
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 98229906
(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 93301259
(2S)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-morpholin-4-ylpentanamide
CID 93301536
2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide
CID 83281530
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide;dihydrochloride
CID 119827759
3-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 42810075
N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 51159495
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]propanamide
CID 51066920
2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid
CID 82311029
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 17217479
2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 848727

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide (CID 93301455) is (2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide is O=C(NCCN1CCOCC1)[C@@H](c1ccccc1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21.
What is the InChIKey of (2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide?
The InChIKey is FOXOPUMPFCWBLS-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H28Cl2N4O2/c29-22-9-6-10-23(30)21(22)19-26-32-24-11-4-5-12-25(24)34(26)27(20-7-2-1-3-8-20)28(35)31-13-14-33-15-17-36-18-16-33/h1-12,27H,13-19H2,(H,31,35)/t27-/m1/s1.
What are the key properties of (2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide?
(2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide has a molecular weight of 523.46 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide is sourced from PubChem (CID 93301455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).