2-(2-methyl-1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide

C17H24N4O — CID 11960920

IUPAC2-(2-methyl-1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCCCN1CCCCC1(C)c1nc2c(C(N)=O)cccc2[nH]1
InChIInChI=1S/C17H24N4O/c1-3-10-21-11-5-4-9-17(21,2)16-19-13-8-6-7-12(15(18)22)14(13)20-16/h6-8H,3-5,9-11H2,1-2H3,(H2,18,22)(H,19,20)
InChIKeyTUJCKTUZCVMCML-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.77
Rot. Bonds4

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

2-(2-methyl-1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 11960920) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(2-methyl-1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methyl-1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID11960920
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-(2-methyl-1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCCCN1CCCCC1(C)c1nc2c(C(N)=O)cccc2[nH]1
InChIInChI=1S/C17H24N4O/c1-3-10-21-11-5-4-9-17(21,2)16-19-13-8-6-7-12(15(18)22)14(13)20-16/h6-8H,3-5,9-11H2,1-2H3,(H2,18,22)(H,19,20)
InChIKeyTUJCKTUZCVMCML-UHFFFAOYSA-N
XLogP2.77
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(2-methyl-1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide (CID 11960920) is 2-(2-methyl-1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-methyl-1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(2-methyl-1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide is CCCN1CCCCC1(C)c1nc2c(C(N)=O)cccc2[nH]1.
What is the InChIKey of 2-(2-methyl-1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is TUJCKTUZCVMCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-10-21-11-5-4-9-17(21,2)16-19-13-8-6-7-12(15(18)22)14(13)20-16/h6-8H,3-5,9-11H2,1-2H3,(H2,18,22)(H,19,20).
What are the key properties of 2-(2-methyl-1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide?
2-(2-methyl-1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11960920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).