4-[[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide

C21H24N4O3 — CID 38744872

IUPAC4-[[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
SMILESCCn1c(=O)n(CC(=O)N(C)Cc2ccc(C(=O)NC)cc2)c2ccccc21
InChIInChI=1S/C21H24N4O3/c1-4-24-17-7-5-6-8-18(17)25(21(24)28)14-19(26)23(3)13-15-9-11-16(12-10-15)20(27)22-2/h5-12H,4,13-14H2,1-3H3,(H,22,27)
InChIKeyJDIKWNRJMUQITB-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.84
Rot. Bonds6

About 4-[[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide

4-[[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 38744872) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID38744872
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name4-[[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
SMILESCCn1c(=O)n(CC(=O)N(C)Cc2ccc(C(=O)NC)cc2)c2ccccc21
InChIInChI=1S/C21H24N4O3/c1-4-24-17-7-5-6-8-18(17)25(21(24)28)14-19(26)23(3)13-15-9-11-16(12-10-15)20(27)22-2/h5-12H,4,13-14H2,1-3H3,(H,22,27)
InChIKeyJDIKWNRJMUQITB-UHFFFAOYSA-N
XLogP1.84
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 38745501
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CID 38744100
4-[[[2-(2-ethylbenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
CID 38746243
4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide
CID 24609226
N-methyl-4-[[methyl-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide
CID 40669784
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 43035572
N-(3-amino-2,2-dimethylpropyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide;hydrochloride
CID 119654789
N-[(2,3-dimethoxyphenyl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide
CID 18121406
4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-4-oxobutanoic acid
CID 60699252
N-benzyl-N-methyl-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46356937
4-[[[2-(dibenzylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003318
4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide
CID 51094891

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide (CID 38744872) is 4-[[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide is CCn1c(=O)n(CC(=O)N(C)Cc2ccc(C(=O)NC)cc2)c2ccccc21.
What is the InChIKey of 4-[[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is JDIKWNRJMUQITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-4-24-17-7-5-6-8-18(17)25(21(24)28)14-19(26)23(3)13-15-9-11-16(12-10-15)20(27)22-2/h5-12H,4,13-14H2,1-3H3,(H,22,27).
What are the key properties of 4-[[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 380.45 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 38744872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).