2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide

C24H27Cl2FN4O2 — CID 83281530

IUPAC2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide
SMILESCCC(C(=O)NCCN1CCOCC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C24H27Cl2FN4O2/c1-2-21(24(32)28-7-8-30-9-11-33-12-10-30)31-22-15-18(26)17(25)14-20(22)29-23(31)13-16-5-3-4-6-19(16)27/h3-6,14-15,21H,2,7-13H2,1H3,(H,28,32)
InChIKeyBUOQSXAIPVWUHV-UHFFFAOYSA-N
MW493.41 g/mol
LogP4.47
Rot. Bonds8

About 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide

2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide (PubChem CID 83281530) has the molecular formula C24H27Cl2FN4O2 and a molecular weight of 493.41 g/mol. Its IUPAC name is 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide.

Molecular Properties

Compound Name2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide
PubChem CID83281530
Molecular FormulaC24H27Cl2FN4O2
Molecular Weight493.41 g/mol
Exact Mass492.15
IUPAC Name2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide
SMILESCCC(C(=O)NCCN1CCOCC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C24H27Cl2FN4O2/c1-2-21(24(32)28-7-8-30-9-11-33-12-10-30)31-22-15-18(26)17(25)14-20(22)29-23(31)13-16-5-3-4-6-19(16)27/h3-6,14-15,21H,2,7-13H2,1H3,(H,28,32)
InChIKeyBUOQSXAIPVWUHV-UHFFFAOYSA-N
XLogP4.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)butanamide
CID 97037004
(2R)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)butanamide
CID 97036999
(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
4-[(2-benzyl-5,6-dichlorobenzimidazol-1-yl)methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 83289834
3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 83289041
(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]-5,6-dimethylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)butanamide
CID 93301530
2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 83282235
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 17217479
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)butanamide
CID 42810631

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide?
The IUPAC name of 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide (CID 83281530) is 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide.
What is the SMILES notation for 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide?
The canonical SMILES for 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide is CCC(C(=O)NCCN1CCOCC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide?
The InChIKey is BUOQSXAIPVWUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2FN4O2/c1-2-21(24(32)28-7-8-30-9-11-33-12-10-30)31-22-15-18(26)17(25)14-20(22)29-23(31)13-16-5-3-4-6-19(16)27/h3-6,14-15,21H,2,7-13H2,1H3,(H,28,32).
What are the key properties of 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide?
2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide has a molecular weight of 493.41 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide is sourced from PubChem (CID 83281530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).