3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide

C18H18N4O3 — CID 32637431

IUPAC3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide
SMILESCn1c(=O)n(CC(=O)NCc2cccc(C(N)=O)c2)c2ccccc21
InChIInChI=1S/C18H18N4O3/c1-21-14-7-2-3-8-15(14)22(18(21)25)11-16(23)20-10-12-5-4-6-13(9-12)17(19)24/h2-9H,10-11H2,1H3,(H2,19,24)(H,20,23)
InChIKeyTUFHOMQGVGSAST-UHFFFAOYSA-N
MW338.37 g/mol
LogP0.76
Rot. Bonds5

About 3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide

3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide (PubChem CID 32637431) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide
PubChem CID32637431
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide
SMILESCn1c(=O)n(CC(=O)NCc2cccc(C(N)=O)c2)c2ccccc21
InChIInChI=1S/C18H18N4O3/c1-21-14-7-2-3-8-15(14)22(18(21)25)11-16(23)20-10-12-5-4-6-13(9-12)17(19)24/h2-9H,10-11H2,1H3,(H2,19,24)(H,20,23)
InChIKeyTUFHOMQGVGSAST-UHFFFAOYSA-N
XLogP0.76
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide
CID 32917381
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 17497629
N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502382
3-[(propanoylamino)methyl]benzamide
CID 32636451
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 55716284
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32990360
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 17495918
N-[3-[[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 29304202
3-[(3-aminopropanoylamino)methyl]benzamide
CID 61274334
3-[[(2-chloroacetyl)amino]methyl]benzamide
CID 61251496
N-[3-(methoxymethyl)phenyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 32639195
N-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 32778294

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide?
The IUPAC name of 3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide (CID 32637431) is 3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide is Cn1c(=O)n(CC(=O)NCc2cccc(C(N)=O)c2)c2ccccc21.
What is the InChIKey of 3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide?
The InChIKey is TUFHOMQGVGSAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-21-14-7-2-3-8-15(14)22(18(21)25)11-16(23)20-10-12-5-4-6-13(9-12)17(19)24/h2-9H,10-11H2,1H3,(H2,19,24)(H,20,23).
What are the key properties of 3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide?
3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide has a molecular weight of 338.37 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 32637431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).