3-(2,2-dimethylpropanoylamino)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide

C21H24N4O3 — CID 131920367

IUPAC3-(2,2-dimethylpropanoylamino)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
SMILESCc1c(NC(=O)C(C)(C)C)cccc1C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C21H24N4O3/c1-12-14(6-5-7-15(12)23-19(27)21(2,3)4)18(26)22-11-13-8-9-16-17(10-13)25-20(28)24-16/h5-10H,11H2,1-4H3,(H,22,26)(H,23,27)(H2,24,25,28)
InChIKeyOGWPMWSEJQMKMB-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.08
Rot. Bonds4

About 3-(2,2-dimethylpropanoylamino)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide

3-(2,2-dimethylpropanoylamino)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide (PubChem CID 131920367) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
PubChem CID131920367
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3-(2,2-dimethylpropanoylamino)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
SMILESCc1c(NC(=O)C(C)(C)C)cccc1C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C21H24N4O3/c1-12-14(6-5-7-15(12)23-19(27)21(2,3)4)18(26)22-11-13-8-9-16-17(10-13)25-20(28)24-16/h5-10H,11H2,1-4H3,(H,22,26)(H,23,27)(H2,24,25,28)
InChIKeyOGWPMWSEJQMKMB-UHFFFAOYSA-N
XLogP3.08
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-(2,2-dimethylpropanoylamino)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide with MolForge

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Related Compounds

2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 75503782
2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115165741
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide
CID 75503534
2,3,4-trifluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 75503771
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
N-methyl-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 131937299
N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772085
1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421
N-(2,3-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692364
2-(3-methoxyphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 110785285
3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 110785273
2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 75477078

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide (CID 131920367) is 3-(2,2-dimethylpropanoylamino)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide is Cc1c(NC(=O)C(C)(C)C)cccc1C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide?
The InChIKey is OGWPMWSEJQMKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-12-14(6-5-7-15(12)23-19(27)21(2,3)4)18(26)22-11-13-8-9-16-17(10-13)25-20(28)24-16/h5-10H,11H2,1-4H3,(H,22,26)(H,23,27)(H2,24,25,28).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide?
3-(2,2-dimethylpropanoylamino)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide has a molecular weight of 380.45 g/mol, XLogP of 3.08, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide is sourced from PubChem (CID 131920367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).