2-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide

C24H20ClN5O3 — CID 10457032

IUPAC2-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
SMILESO=C(Cc1ccc2nc(-c3ccc(Cl)cn3)[nH]c2c1)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C24H20ClN5O3/c25-16-2-8-20(26-13-16)24-28-19-7-1-15(11-21(19)29-24)12-22(31)27-17-3-5-18(6-4-17)30-9-10-33-14-23(30)32/h1-8,11,13H,9-10,12,14H2,(H,27,31)(H,28,29)
InChIKeyINLIPNBBIONHPS-UHFFFAOYSA-N
MW461.91 g/mol
LogP3.82
Rot. Bonds5

About 2-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide

2-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide (PubChem CID 10457032) has the molecular formula C24H20ClN5O3 and a molecular weight of 461.91 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
PubChem CID10457032
Molecular FormulaC24H20ClN5O3
Molecular Weight461.91 g/mol
Exact Mass461.13
IUPAC Name2-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
SMILESO=C(Cc1ccc2nc(-c3ccc(Cl)cn3)[nH]c2c1)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C24H20ClN5O3/c25-16-2-8-20(26-13-16)24-28-19-7-1-15(11-21(19)29-24)12-22(31)27-17-3-5-18(6-4-17)30-9-10-33-14-23(30)32/h1-8,11,13H,9-10,12,14H2,(H,27,31)(H,28,29)
InChIKeyINLIPNBBIONHPS-UHFFFAOYSA-N
XLogP3.82
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 168524282
3-(4-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 110617653
1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110363575
2-(3,4-dichlorophenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 55489364
1-[(3-chlorophenyl)methyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110617707
2-(6-chloro-1H-benzimidazol-2-yl)-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]-2-methylpropanamide
CID 11561410
1-tert-butyl-N-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide
CID 71855655
2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole
CID 64724542
3-(3-fluorophenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 110611038
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 4597385
[2-chloro-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid
CID 174188050
N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
CID 67687499

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide (CID 10457032) is 2-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide is O=C(Cc1ccc2nc(-c3ccc(Cl)cn3)[nH]c2c1)Nc1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 2-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide?
The InChIKey is INLIPNBBIONHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O3/c25-16-2-8-20(26-13-16)24-28-19-7-1-15(11-21(19)29-24)12-22(31)27-17-3-5-18(6-4-17)30-9-10-33-14-23(30)32/h1-8,11,13H,9-10,12,14H2,(H,27,31)(H,28,29).
What are the key properties of 2-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide?
2-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide has a molecular weight of 461.91 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide is sourced from PubChem (CID 10457032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).