N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide

C22H23ClN4O3 — CID 47037114

IUPACN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C22H23ClN4O3/c1-2-26-18-7-3-4-8-19(18)27(22(26)30)14-20(28)24-17-10-9-15(23)13-16(17)21(29)25-11-5-6-12-25/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,24,28)
InChIKeyOMYHIAJELXOBCI-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.35
Rot. Bonds5

About N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide

N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 47037114) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
PubChem CID47037114
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC NameN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C22H23ClN4O3/c1-2-26-18-7-3-4-8-19(18)27(22(26)30)14-20(28)24-17-10-9-15(23)13-16(17)21(29)25-11-5-6-12-25/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,24,28)
InChIKeyOMYHIAJELXOBCI-UHFFFAOYSA-N
XLogP3.35
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 46419716
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 35278255
[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
CID 52662712
azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone
CID 62173337
2-[4-chloro-2-(piperidine-1-carbonyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607785
N-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 55432797
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119711940
azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone
CID 62248828
4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide
CID 55727373
N-[4-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 55727316
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78888980

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?
The IUPAC name of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide (CID 47037114) is N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide is CCn1c(=O)n(CC(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)c2ccccc21.
What is the InChIKey of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?
The InChIKey is OMYHIAJELXOBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-2-26-18-7-3-4-8-19(18)27(22(26)30)14-20(28)24-17-10-9-15(23)13-16(17)21(29)25-11-5-6-12-25/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,24,28).
What are the key properties of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 426.90 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 47037114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).