2-(2,2-dimethylpropanoylamino)-N-(1-methylbenzimidazol-2-yl)benzamide

C20H22N4O2 — CID 1076051

IUPAC2-(2,2-dimethylpropanoylamino)-N-(1-methylbenzimidazol-2-yl)benzamide
SMILESCn1c(NC(=O)c2ccccc2NC(=O)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C20H22N4O2/c1-20(2,3)18(26)21-14-10-6-5-9-13(14)17(25)23-19-22-15-11-7-8-12-16(15)24(19)4/h5-12H,1-4H3,(H,21,26)(H,22,23,25)
InChIKeyFXOKVFWLVUMPRO-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.81
Rot. Bonds3

About 2-(2,2-dimethylpropanoylamino)-N-(1-methylbenzimidazol-2-yl)benzamide

2-(2,2-dimethylpropanoylamino)-N-(1-methylbenzimidazol-2-yl)benzamide (PubChem CID 1076051) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoylamino)-N-(1-methylbenzimidazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoylamino)-N-(1-methylbenzimidazol-2-yl)benzamide
PubChem CID1076051
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-(2,2-dimethylpropanoylamino)-N-(1-methylbenzimidazol-2-yl)benzamide
SMILESCn1c(NC(=O)c2ccccc2NC(=O)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C20H22N4O2/c1-20(2,3)18(26)21-14-10-6-5-9-13(14)17(25)23-19-22-15-11-7-8-12-16(15)24(19)4/h5-12H,1-4H3,(H,21,26)(H,22,23,25)
InChIKeyFXOKVFWLVUMPRO-UHFFFAOYSA-N
XLogP3.81
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoylamino)-N-(1-methylbenzimidazol-2-yl)benzamide?
The IUPAC name of 2-(2,2-dimethylpropanoylamino)-N-(1-methylbenzimidazol-2-yl)benzamide (CID 1076051) is 2-(2,2-dimethylpropanoylamino)-N-(1-methylbenzimidazol-2-yl)benzamide.
What is the SMILES notation for 2-(2,2-dimethylpropanoylamino)-N-(1-methylbenzimidazol-2-yl)benzamide?
The canonical SMILES for 2-(2,2-dimethylpropanoylamino)-N-(1-methylbenzimidazol-2-yl)benzamide is Cn1c(NC(=O)c2ccccc2NC(=O)C(C)(C)C)nc2ccccc21.
What is the InChIKey of 2-(2,2-dimethylpropanoylamino)-N-(1-methylbenzimidazol-2-yl)benzamide?
The InChIKey is FXOKVFWLVUMPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-20(2,3)18(26)21-14-10-6-5-9-13(14)17(25)23-19-22-15-11-7-8-12-16(15)24(19)4/h5-12H,1-4H3,(H,21,26)(H,22,23,25).
What are the key properties of 2-(2,2-dimethylpropanoylamino)-N-(1-methylbenzimidazol-2-yl)benzamide?
2-(2,2-dimethylpropanoylamino)-N-(1-methylbenzimidazol-2-yl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoylamino)-N-(1-methylbenzimidazol-2-yl)benzamide is sourced from PubChem (CID 1076051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).