1-(2,2-dimethylpropyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-3H-benzimidazole-4-carboxamide

C19H24N4O3 — CID 146101905

IUPAC1-(2,2-dimethylpropyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-3H-benzimidazole-4-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cccc3c2[nH]c(=O)n3CC(C)(C)C)co1
InChIInChI=1S/C19H24N4O3/c1-12-20-13(10-26-12)9-22(5)17(24)14-7-6-8-15-16(14)21-18(25)23(15)11-19(2,3)4/h6-8,10H,9,11H2,1-5H3,(H,21,25)
InChIKeyQDUXSIUFILNSQC-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.94
Rot. Bonds4

About 1-(2,2-dimethylpropyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-3H-benzimidazole-4-carboxamide

1-(2,2-dimethylpropyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-3H-benzimidazole-4-carboxamide (PubChem CID 146101905) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-3H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-3H-benzimidazole-4-carboxamide
PubChem CID146101905
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-(2,2-dimethylpropyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-3H-benzimidazole-4-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cccc3c2[nH]c(=O)n3CC(C)(C)C)co1
InChIInChI=1S/C19H24N4O3/c1-12-20-13(10-26-12)9-22(5)17(24)14-7-6-8-15-16(14)21-18(25)23(15)11-19(2,3)4/h6-8,10H,9,11H2,1-5H3,(H,21,25)
InChIKeyQDUXSIUFILNSQC-UHFFFAOYSA-N
XLogP2.94
TPSA84.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-3H-benzimidazole-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-3H-benzimidazole-4-carboxamide (CID 146101905) is 1-(2,2-dimethylpropyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-3H-benzimidazole-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-3H-benzimidazole-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-3H-benzimidazole-4-carboxamide is Cc1nc(CN(C)C(=O)c2cccc3c2[nH]c(=O)n3CC(C)(C)C)co1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-3H-benzimidazole-4-carboxamide?
The InChIKey is QDUXSIUFILNSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12-20-13(10-26-12)9-22(5)17(24)14-7-6-8-15-16(14)21-18(25)23(15)11-19(2,3)4/h6-8,10H,9,11H2,1-5H3,(H,21,25).
What are the key properties of 1-(2,2-dimethylpropyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-3H-benzimidazole-4-carboxamide?
1-(2,2-dimethylpropyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-3H-benzimidazole-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-3H-benzimidazole-4-carboxamide is sourced from PubChem (CID 146101905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).