2-(2-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide

C15H18N4O — CID 25230052

IUPAC2-(2-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1CC2CCC1(c1nc3c(C(N)=O)cccc3[nH]1)N2
InChIInChI=1S/C15H18N4O/c1-8-7-9-5-6-15(8,19-9)14-17-11-4-2-3-10(13(16)20)12(11)18-14/h2-4,8-9,19H,5-7H2,1H3,(H2,16,20)(H,17,18)
InChIKeyGIXGJILDPXHUJE-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.65
Rot. Bonds2

About 2-(2-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide

2-(2-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 25230052) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(2-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide
PubChem CID25230052
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-(2-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1CC2CCC1(c1nc3c(C(N)=O)cccc3[nH]1)N2
InChIInChI=1S/C15H18N4O/c1-8-7-9-5-6-15(8,19-9)14-17-11-4-2-3-10(13(16)20)12(11)18-14/h2-4,8-9,19H,5-7H2,1H3,(H2,16,20)(H,17,18)
InChIKeyGIXGJILDPXHUJE-UHFFFAOYSA-N
XLogP1.65
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(2-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide (CID 25230052) is 2-(2-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(2-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide is CC1CC2CCC1(c1nc3c(C(N)=O)cccc3[nH]1)N2.
What is the InChIKey of 2-(2-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is GIXGJILDPXHUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-8-7-9-5-6-15(8,19-9)14-17-11-4-2-3-10(13(16)20)12(11)18-14/h2-4,8-9,19H,5-7H2,1H3,(H2,16,20)(H,17,18).
What are the key properties of 2-(2-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide?
2-(2-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25230052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).