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

C17H24N4O — CID 25190744

IUPAC1-methyl-2-(1-propylpiperidin-4-yl)benzimidazole-4-carboxamide
SMILESCCCN1CCC(c2nc3c(C(N)=O)cccc3n2C)CC1
InChIInChI=1S/C17H24N4O/c1-3-9-21-10-7-12(8-11-21)17-19-15-13(16(18)22)5-4-6-14(15)20(17)2/h4-6,12H,3,7-11H2,1-2H3,(H2,18,22)
InChIKeyPYCOJOVNVSUACM-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.26
Rot. Bonds4

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

1-methyl-2-(1-propylpiperidin-4-yl)benzimidazole-4-carboxamide (PubChem CID 25190744) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-methyl-2-(1-propylpiperidin-4-yl)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-(1-propylpiperidin-4-yl)benzimidazole-4-carboxamide
PubChem CID25190744
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-methyl-2-(1-propylpiperidin-4-yl)benzimidazole-4-carboxamide
SMILESCCCN1CCC(c2nc3c(C(N)=O)cccc3n2C)CC1
InChIInChI=1S/C17H24N4O/c1-3-9-21-10-7-12(8-11-21)17-19-15-13(16(18)22)5-4-6-14(15)20(17)2/h4-6,12H,3,7-11H2,1-2H3,(H2,18,22)
InChIKeyPYCOJOVNVSUACM-UHFFFAOYSA-N
XLogP2.26
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-propylpiperidin-4-yl)benzimidazole-4-carboxamide?
The IUPAC name of 1-methyl-2-(1-propylpiperidin-4-yl)benzimidazole-4-carboxamide (CID 25190744) is 1-methyl-2-(1-propylpiperidin-4-yl)benzimidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-2-(1-propylpiperidin-4-yl)benzimidazole-4-carboxamide?
The canonical SMILES for 1-methyl-2-(1-propylpiperidin-4-yl)benzimidazole-4-carboxamide is CCCN1CCC(c2nc3c(C(N)=O)cccc3n2C)CC1.
What is the InChIKey of 1-methyl-2-(1-propylpiperidin-4-yl)benzimidazole-4-carboxamide?
The InChIKey is PYCOJOVNVSUACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-9-21-10-7-12(8-11-21)17-19-15-13(16(18)22)5-4-6-14(15)20(17)2/h4-6,12H,3,7-11H2,1-2H3,(H2,18,22).
What are the key properties of 1-methyl-2-(1-propylpiperidin-4-yl)benzimidazole-4-carboxamide?
1-methyl-2-(1-propylpiperidin-4-yl)benzimidazole-4-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-propylpiperidin-4-yl)benzimidazole-4-carboxamide is sourced from PubChem (CID 25190744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).