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

C19H20N4O3 — CID 134057140

IUPAC3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C19H20N4O3/c1-19(2,3)17(25)21-12-6-4-5-11(9-12)16(24)20-13-7-8-14-15(10-13)23-18(26)22-14/h4-10H,1-3H3,(H,20,24)(H,21,25)(H2,22,23,26)
InChIKeyIMWOJMRXLCVVLT-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.09
Rot. Bonds3

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

3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (PubChem CID 134057140) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
PubChem CID134057140
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C19H20N4O3/c1-19(2,3)17(25)21-12-6-4-5-11(9-12)16(24)20-13-7-8-14-15(10-13)23-18(26)22-14/h4-10H,1-3H3,(H,20,24)(H,21,25)(H2,22,23,26)
InChIKeyIMWOJMRXLCVVLT-UHFFFAOYSA-N
XLogP3.09
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide
CID 134037635
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pyrrol-1-ylbenzamide
CID 26702412
3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 3863053
3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide
CID 2849840
N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide
CID 17171661
3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 17102477

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (CID 134057140) is 3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The InChIKey is IMWOJMRXLCVVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-19(2,3)17(25)21-12-6-4-5-11(9-12)16(24)20-13-7-8-14-15(10-13)23-18(26)22-14/h4-10H,1-3H3,(H,20,24)(H,21,25)(H2,22,23,26).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide has a molecular weight of 352.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is sourced from PubChem (CID 134057140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).