N-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide

C19H20N4O2 — CID 30476399

IUPACN-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H20N4O2/c1-19(2,3)17(25)20-13-8-6-7-12(11-13)16(24)23-18-21-14-9-4-5-10-15(14)22-18/h4-11H,1-3H3,(H,20,25)(H2,21,22,23,24)
InChIKeyVCRLIWDLLCSCRI-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.80
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide

N-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide (PubChem CID 30476399) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide
PubChem CID30476399
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H20N4O2/c1-19(2,3)17(25)20-13-8-6-7-12(11-13)16(24)23-18-21-14-9-4-5-10-15(14)22-18/h4-11H,1-3H3,(H,20,25)(H2,21,22,23,24)
InChIKeyVCRLIWDLLCSCRI-UHFFFAOYSA-N
XLogP3.80
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1H-benzimidazol-2-yl)benzamide
CID 62060005
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 1271219
N-(1H-benzimidazol-2-yl)-3-cyanobenzamide
CID 2635761
N-(1H-benzimidazol-2-yl)-3-(phenylsulfamoyl)benzamide
CID 155294875
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334
N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 2583610
3-(2,2-dimethylpropanoylamino)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 35780569
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-(1H-benzimidazol-2-yl)-3-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide
CID 39348286
3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 134057140

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide (CID 30476399) is N-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide is CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide?
The InChIKey is VCRLIWDLLCSCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-19(2,3)17(25)20-13-8-6-7-12(11-13)16(24)23-18-21-14-9-4-5-10-15(14)22-18/h4-11H,1-3H3,(H,20,25)(H2,21,22,23,24).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide?
N-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide has a molecular weight of 336.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide is sourced from PubChem (CID 30476399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).