(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpentan-1-one

C23H25Cl2N3O2 — CID 93301285

IUPAC(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpentan-1-one
SMILESCCC[C@@H](C(=O)N1CCOCC1)n1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C23H25Cl2N3O2/c1-2-5-21(23(29)27-10-12-30-13-11-27)28-20-7-4-3-6-19(20)26-22(28)15-16-8-9-17(24)18(25)14-16/h3-4,6-9,14,21H,2,5,10-13,15H2,1H3/t21-/m0/s1
InChIKeyIEYKFNZTZDEZJI-NRFANRHFSA-N
MW446.38 g/mol
LogP5.13
Rot. Bonds6

About (2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpentan-1-one

(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpentan-1-one (PubChem CID 93301285) has the molecular formula C23H25Cl2N3O2 and a molecular weight of 446.38 g/mol. Its IUPAC name is (2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpentan-1-one
PubChem CID93301285
Molecular FormulaC23H25Cl2N3O2
Molecular Weight446.38 g/mol
Exact Mass445.13
IUPAC Name(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpentan-1-one
SMILESCCC[C@@H](C(=O)N1CCOCC1)n1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C23H25Cl2N3O2/c1-2-5-21(23(29)27-10-12-30-13-11-27)28-20-7-4-3-6-19(20)26-22(28)15-16-8-9-17(24)18(25)14-16/h3-4,6-9,14,21H,2,5,10-13,15H2,1H3/t21-/m0/s1
InChIKeyIEYKFNZTZDEZJI-NRFANRHFSA-N
XLogP5.13
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.38
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one
CID 42810175
(2S)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-morpholin-4-ylpentanamide
CID 93301536
(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide
CID 93301281
(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 93301259
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 51066899
(2S)-2-(2-ethylbenzimidazol-1-yl)-1-(3-morpholin-4-ylazetidin-1-yl)butan-1-one
CID 97197905
(2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide
CID 93301607
(2S)-N-[(2R)-butan-2-yl]-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 93301604
2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-1-morpholin-4-ylpropan-1-one
CID 42810643
(2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 93301248
2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methylphenyl)pentanamide
CID 51067007
ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate
CID 83038109

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpentan-1-one?
The IUPAC name of (2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpentan-1-one (CID 93301285) is (2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpentan-1-one.
What is the SMILES notation for (2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpentan-1-one?
The canonical SMILES for (2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpentan-1-one is CCC[C@@H](C(=O)N1CCOCC1)n1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21.
What is the InChIKey of (2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpentan-1-one?
The InChIKey is IEYKFNZTZDEZJI-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25Cl2N3O2/c1-2-5-21(23(29)27-10-12-30-13-11-27)28-20-7-4-3-6-19(20)26-22(28)15-16-8-9-17(24)18(25)14-16/h3-4,6-9,14,21H,2,5,10-13,15H2,1H3/t21-/m0/s1.
What are the key properties of (2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpentan-1-one?
(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpentan-1-one has a molecular weight of 446.38 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpentan-1-one is sourced from PubChem (CID 93301285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).