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

C17H22N4O — CID 25229833

IUPAC2-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CC2CCC1(c1nc3c(C(N)=O)cccc3[nH]1)C2
InChIInChI=1S/C17H22N4O/c1-10(2)21-9-11-6-7-17(21,8-11)16-19-13-5-3-4-12(15(18)22)14(13)20-16/h3-5,10-11H,6-9H2,1-2H3,(H2,18,22)(H,19,20)
InChIKeyZRJKSKIWSDOJAX-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.38
Rot. Bonds3

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

2-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 25229833) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide
PubChem CID25229833
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CC2CCC1(c1nc3c(C(N)=O)cccc3[nH]1)C2
InChIInChI=1S/C17H22N4O/c1-10(2)21-9-11-6-7-17(21,8-11)16-19-13-5-3-4-12(15(18)22)14(13)20-16/h3-5,10-11H,6-9H2,1-2H3,(H2,18,22)(H,19,20)
InChIKeyZRJKSKIWSDOJAX-UHFFFAOYSA-N
XLogP2.38
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S,4R)-2-ethyl-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide
CID 25229722
2-(2-ethyl-2-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide
CID 25229725
2-(2-methyl-1-propan-2-ylazetidin-2-yl)-1H-benzimidazole-4-carboxamide
CID 11960736
2-(2-cyclopropyl-2-azabicyclo[2.1.1]hexan-1-yl)-1H-benzimidazole-4-carboxamide
CID 25229837
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide
CID 25183353
2-[(1R,5R)-6-(5-hydroxypentyl)-6-azabicyclo[3.2.1]octan-5-yl]-1H-benzimidazole-4-carboxamide
CID 68952134
2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexan-1-yl]-1H-benzimidazole-4-carboxamide
CID 68952087
2-(2-azabicyclo[2.2.2]octan-4-yl)-1H-benzimidazole-4-carboxamide
CID 25229938
2-[1-(propylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide
CID 11960018
2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 25194562
2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
CID 18428049
2-(2-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide
CID 25230052

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide (CID 25229833) is 2-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide is CC(C)N1CC2CCC1(c1nc3c(C(N)=O)cccc3[nH]1)C2.
What is the InChIKey of 2-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is ZRJKSKIWSDOJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-10(2)21-9-11-6-7-17(21,8-11)16-19-13-5-3-4-12(15(18)22)14(13)20-16/h3-5,10-11H,6-9H2,1-2H3,(H2,18,22)(H,19,20).
What are the key properties of 2-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide?
2-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-2-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25229833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).