(2S)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-morpholin-4-ylpentanamide

C23H26Cl2N4O2 — CID 93301536

IUPAC(2S)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-morpholin-4-ylpentanamide
SMILESCCC[C@@H](C(=O)NN1CCOCC1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21
InChIInChI=1S/C23H26Cl2N4O2/c1-2-6-21(23(30)27-28-11-13-31-14-12-28)29-20-10-4-3-9-19(20)26-22(29)15-16-17(24)7-5-8-18(16)25/h3-5,7-10,21H,2,6,11-15H2,1H3,(H,27,30)/t21-/m0/s1
InChIKeyFZSLKRMXCSLNEF-NRFANRHFSA-N
MW461.39 g/mol
LogP4.64
Rot. Bonds7

About (2S)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-morpholin-4-ylpentanamide

(2S)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-morpholin-4-ylpentanamide (PubChem CID 93301536) has the molecular formula C23H26Cl2N4O2 and a molecular weight of 461.39 g/mol. Its IUPAC name is (2S)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-morpholin-4-ylpentanamide.

Molecular Properties

Compound Name(2S)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-morpholin-4-ylpentanamide
PubChem CID93301536
Molecular FormulaC23H26Cl2N4O2
Molecular Weight461.39 g/mol
Exact Mass460.14
IUPAC Name(2S)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-morpholin-4-ylpentanamide
SMILESCCC[C@@H](C(=O)NN1CCOCC1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21
InChIInChI=1S/C23H26Cl2N4O2/c1-2-6-21(23(30)27-28-11-13-31-14-12-28)29-20-10-4-3-9-19(20)26-22(29)15-16-17(24)7-5-8-18(16)25/h3-5,7-10,21H,2,6,11-15H2,1H3,(H,27,30)/t21-/m0/s1
InChIKeyFZSLKRMXCSLNEF-NRFANRHFSA-N
XLogP4.64
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 93301259
2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methylphenyl)pentanamide
CID 51067007
(2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide
CID 93301607
(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpentan-1-one
CID 93301285
(2S)-N-[(2R)-butan-2-yl]-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 93301604
(2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
CID 93301455
(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide
CID 93300092
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide
CID 51066946
(2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 93301248
(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide
CID 93301281
(2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 93301422
(2S)-2-[5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 98229906

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-morpholin-4-ylpentanamide?
The IUPAC name of (2S)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-morpholin-4-ylpentanamide (CID 93301536) is (2S)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-morpholin-4-ylpentanamide.
What is the SMILES notation for (2S)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-morpholin-4-ylpentanamide?
The canonical SMILES for (2S)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-morpholin-4-ylpentanamide is CCC[C@@H](C(=O)NN1CCOCC1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21.
What is the InChIKey of (2S)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-morpholin-4-ylpentanamide?
The InChIKey is FZSLKRMXCSLNEF-NRFANRHFSA-N. The full InChI is InChI=1S/C23H26Cl2N4O2/c1-2-6-21(23(30)27-28-11-13-31-14-12-28)29-20-10-4-3-9-19(20)26-22(29)15-16-17(24)7-5-8-18(16)25/h3-5,7-10,21H,2,6,11-15H2,1H3,(H,27,30)/t21-/m0/s1.
What are the key properties of (2S)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-morpholin-4-ylpentanamide?
(2S)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-morpholin-4-ylpentanamide has a molecular weight of 461.39 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-morpholin-4-ylpentanamide is sourced from PubChem (CID 93301536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).