2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

C22H26N4O3 — CID 17495918

IUPAC2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESCn1c(=O)n(CC(=O)NCc2ccc(CN3CCOCC3)cc2)c2ccccc21
InChIInChI=1S/C22H26N4O3/c1-24-19-4-2-3-5-20(19)26(22(24)28)16-21(27)23-14-17-6-8-18(9-7-17)15-25-10-12-29-13-11-25/h2-9H,10-16H2,1H3,(H,23,27)
InChIKeyDDPSBUBTPVBADK-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.49
Rot. Bonds6

About 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (PubChem CID 17495918) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
PubChem CID17495918
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESCn1c(=O)n(CC(=O)NCc2ccc(CN3CCOCC3)cc2)c2ccccc21
InChIInChI=1S/C22H26N4O3/c1-24-19-4-2-3-5-20(19)26(22(24)28)16-21(27)23-14-17-6-8-18(9-7-17)15-25-10-12-29-13-11-25/h2-9H,10-16H2,1H3,(H,23,27)
InChIKeyDDPSBUBTPVBADK-UHFFFAOYSA-N
XLogP1.49
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 37153190
2-(4-methylpiperidin-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8558402
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502441
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 17497629
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 78863438
N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502382
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
4-[4-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247012
(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 26008683
3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide
CID 32637431
ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 24549613

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (CID 17495918) is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is Cn1c(=O)n(CC(=O)NCc2ccc(CN3CCOCC3)cc2)c2ccccc21.
What is the InChIKey of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is DDPSBUBTPVBADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-24-19-4-2-3-5-20(19)26(22(24)28)16-21(27)23-14-17-6-8-18(9-7-17)15-25-10-12-29-13-11-25/h2-9H,10-16H2,1H3,(H,23,27).
What are the key properties of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 394.48 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 17495918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).