N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenyl)acetamide

C22H26N4O4 — CID 22433047

IUPACN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C22H26N4O4/c1-24-19-13-17(23-21(27)12-15-4-6-16(29-3)7-5-15)18(26-8-10-30-11-9-26)14-20(19)25(2)22(24)28/h4-7,13-14H,8-12H2,1-3H3,(H,23,27)
InChIKeyZHKKMCOMRIKSAX-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.90
Rot. Bonds5

About N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenyl)acetamide

N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 22433047) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID22433047
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C22H26N4O4/c1-24-19-13-17(23-21(27)12-15-4-6-16(29-3)7-5-15)18(26-8-10-30-11-9-26)14-20(19)25(2)22(24)28/h4-7,13-14H,8-12H2,1-3H3,(H,23,27)
InChIKeyZHKKMCOMRIKSAX-UHFFFAOYSA-N
XLogP1.90
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea
CID 50791903
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide
CID 50791877
2-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide
CID 35397747
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea
CID 50791995
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea
CID 50792069
4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400402
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(3-methoxyphenyl)acetamide
CID 55363801
N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-methoxyphenyl)acetamide
CID 50792273
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 1094305
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 46813553
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)pentanamide
CID 110297867

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenyl)acetamide (CID 22433047) is N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is ZHKKMCOMRIKSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-24-19-13-17(23-21(27)12-15-4-6-16(29-3)7-5-15)18(26-8-10-30-11-9-26)14-20(19)25(2)22(24)28/h4-7,13-14H,8-12H2,1-3H3,(H,23,27).
What are the key properties of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenyl)acetamide?
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 410.47 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 22433047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).