2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide

C17H24N4O — CID 11960923

IUPAC2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCC(C)(c2nc3c(C(N)=O)cccc3[nH]2)CC1
InChIInChI=1S/C17H24N4O/c1-11(2)21-9-7-17(3,8-10-21)16-19-13-6-4-5-12(15(18)22)14(13)20-16/h4-6,11H,7-10H2,1-3H3,(H2,18,22)(H,19,20)
InChIKeyZOYAYNKIQNXWEW-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.42
Rot. Bonds3

About 2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide

2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 11960923) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
PubChem CID11960923
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCC(C)(c2nc3c(C(N)=O)cccc3[nH]2)CC1
InChIInChI=1S/C17H24N4O/c1-11(2)21-9-7-17(3,8-10-21)16-19-13-6-4-5-12(15(18)22)14(13)20-16/h4-6,11H,7-10H2,1-3H3,(H2,18,22)(H,19,20)
InChIKeyZOYAYNKIQNXWEW-UHFFFAOYSA-N
XLogP2.42
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide (CID 11960923) is 2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide is CC(C)N1CCC(C)(c2nc3c(C(N)=O)cccc3[nH]2)CC1.
What is the InChIKey of 2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is ZOYAYNKIQNXWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11(2)21-9-7-17(3,8-10-21)16-19-13-6-4-5-12(15(18)22)14(13)20-16/h4-6,11H,7-10H2,1-3H3,(H2,18,22)(H,19,20).
What are the key properties of 2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide?
2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11960923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).