2-cyclopropyl-7-hydroxy-N-(1-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide

C17H22N4O2 — CID 46190864

IUPAC2-cyclopropyl-7-hydroxy-N-(1-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCN1CCCC(NC(=O)c2ccc(O)c3[nH]c(C4CC4)nc23)C1
InChIInChI=1S/C17H22N4O2/c1-21-8-2-3-11(9-21)18-17(23)12-6-7-13(22)15-14(12)19-16(20-15)10-4-5-10/h6-7,10-11,22H,2-5,8-9H2,1H3,(H,18,23)(H,19,20)
InChIKeyNUIBNWKZKSUNBU-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.97
Rot. Bonds3

About 2-cyclopropyl-7-hydroxy-N-(1-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide

2-cyclopropyl-7-hydroxy-N-(1-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 46190864) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-cyclopropyl-7-hydroxy-N-(1-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-7-hydroxy-N-(1-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide
PubChem CID46190864
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-cyclopropyl-7-hydroxy-N-(1-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCN1CCCC(NC(=O)c2ccc(O)c3[nH]c(C4CC4)nc23)C1
InChIInChI=1S/C17H22N4O2/c1-21-8-2-3-11(9-21)18-17(23)12-6-7-13(22)15-14(12)19-16(20-15)10-4-5-10/h6-7,10-11,22H,2-5,8-9H2,1H3,(H,18,23)(H,19,20)
InChIKeyNUIBNWKZKSUNBU-UHFFFAOYSA-N
XLogP1.97
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-hydroxy-N-(1-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-cyclopropyl-7-hydroxy-N-(1-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide (CID 46190864) is 2-cyclopropyl-7-hydroxy-N-(1-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-7-hydroxy-N-(1-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-7-hydroxy-N-(1-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide is CN1CCCC(NC(=O)c2ccc(O)c3[nH]c(C4CC4)nc23)C1.
What is the InChIKey of 2-cyclopropyl-7-hydroxy-N-(1-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is NUIBNWKZKSUNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-21-8-2-3-11(9-21)18-17(23)12-6-7-13(22)15-14(12)19-16(20-15)10-4-5-10/h6-7,10-11,22H,2-5,8-9H2,1H3,(H,18,23)(H,19,20).
What are the key properties of 2-cyclopropyl-7-hydroxy-N-(1-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide?
2-cyclopropyl-7-hydroxy-N-(1-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-hydroxy-N-(1-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 46190864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).