2-(2-cyclopropyl-2-azabicyclo[2.1.1]hexan-1-yl)-1H-benzimidazole-4-carboxamide

C16H18N4O — CID 25229837

IUPAC2-(2-cyclopropyl-2-azabicyclo[2.1.1]hexan-1-yl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C34CC(CN3C3CC3)C4)nc12
InChIInChI=1S/C16H18N4O/c17-14(21)11-2-1-3-12-13(11)19-15(18-12)16-6-9(7-16)8-20(16)10-4-5-10/h1-3,9-10H,4-8H2,(H2,17,21)(H,18,19)
InChIKeyWBTDMEZWSFJNPZ-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.75
Rot. Bonds3

About 2-(2-cyclopropyl-2-azabicyclo[2.1.1]hexan-1-yl)-1H-benzimidazole-4-carboxamide

2-(2-cyclopropyl-2-azabicyclo[2.1.1]hexan-1-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 25229837) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(2-cyclopropyl-2-azabicyclo[2.1.1]hexan-1-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-2-azabicyclo[2.1.1]hexan-1-yl)-1H-benzimidazole-4-carboxamide
PubChem CID25229837
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-(2-cyclopropyl-2-azabicyclo[2.1.1]hexan-1-yl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C34CC(CN3C3CC3)C4)nc12
InChIInChI=1S/C16H18N4O/c17-14(21)11-2-1-3-12-13(11)19-15(18-12)16-6-9(7-16)8-20(16)10-4-5-10/h1-3,9-10H,4-8H2,(H2,17,21)(H,18,19)
InChIKeyWBTDMEZWSFJNPZ-UHFFFAOYSA-N
XLogP1.75
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-2-azabicyclo[2.1.1]hexan-1-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(2-cyclopropyl-2-azabicyclo[2.1.1]hexan-1-yl)-1H-benzimidazole-4-carboxamide (CID 25229837) is 2-(2-cyclopropyl-2-azabicyclo[2.1.1]hexan-1-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-cyclopropyl-2-azabicyclo[2.1.1]hexan-1-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(2-cyclopropyl-2-azabicyclo[2.1.1]hexan-1-yl)-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(C34CC(CN3C3CC3)C4)nc12.
What is the InChIKey of 2-(2-cyclopropyl-2-azabicyclo[2.1.1]hexan-1-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is WBTDMEZWSFJNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-14(21)11-2-1-3-12-13(11)19-15(18-12)16-6-9(7-16)8-20(16)10-4-5-10/h1-3,9-10H,4-8H2,(H2,17,21)(H,18,19).
What are the key properties of 2-(2-cyclopropyl-2-azabicyclo[2.1.1]hexan-1-yl)-1H-benzimidazole-4-carboxamide?
2-(2-cyclopropyl-2-azabicyclo[2.1.1]hexan-1-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-2-azabicyclo[2.1.1]hexan-1-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25229837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).