2-cyclopropyl-7-hydroxy-N-(piperidin-2-ylmethyl)-1H-benzimidazole-4-carboxamide

C17H22N4O2 — CID 46190863

IUPAC2-cyclopropyl-7-hydroxy-N-(piperidin-2-ylmethyl)-1H-benzimidazole-4-carboxamide
SMILESO=C(NCC1CCCCN1)c1ccc(O)c2[nH]c(C3CC3)nc12
InChIInChI=1S/C17H22N4O2/c22-13-7-6-12(14-15(13)21-16(20-14)10-4-5-10)17(23)19-9-11-3-1-2-8-18-11/h6-7,10-11,18,22H,1-5,8-9H2,(H,19,23)(H,20,21)
InChIKeyJQLOJXHUSKTZSN-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.02
Rot. Bonds4

About 2-cyclopropyl-7-hydroxy-N-(piperidin-2-ylmethyl)-1H-benzimidazole-4-carboxamide

2-cyclopropyl-7-hydroxy-N-(piperidin-2-ylmethyl)-1H-benzimidazole-4-carboxamide (PubChem CID 46190863) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-cyclopropyl-7-hydroxy-N-(piperidin-2-ylmethyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-7-hydroxy-N-(piperidin-2-ylmethyl)-1H-benzimidazole-4-carboxamide
PubChem CID46190863
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-cyclopropyl-7-hydroxy-N-(piperidin-2-ylmethyl)-1H-benzimidazole-4-carboxamide
SMILESO=C(NCC1CCCCN1)c1ccc(O)c2[nH]c(C3CC3)nc12
InChIInChI=1S/C17H22N4O2/c22-13-7-6-12(14-15(13)21-16(20-14)10-4-5-10)17(23)19-9-11-3-1-2-8-18-11/h6-7,10-11,18,22H,1-5,8-9H2,(H,19,23)(H,20,21)
InChIKeyJQLOJXHUSKTZSN-UHFFFAOYSA-N
XLogP2.02
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-hydroxy-N-(piperidin-2-ylmethyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-cyclopropyl-7-hydroxy-N-(piperidin-2-ylmethyl)-1H-benzimidazole-4-carboxamide (CID 46190863) is 2-cyclopropyl-7-hydroxy-N-(piperidin-2-ylmethyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-7-hydroxy-N-(piperidin-2-ylmethyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-7-hydroxy-N-(piperidin-2-ylmethyl)-1H-benzimidazole-4-carboxamide is O=C(NCC1CCCCN1)c1ccc(O)c2[nH]c(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-7-hydroxy-N-(piperidin-2-ylmethyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is JQLOJXHUSKTZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-13-7-6-12(14-15(13)21-16(20-14)10-4-5-10)17(23)19-9-11-3-1-2-8-18-11/h6-7,10-11,18,22H,1-5,8-9H2,(H,19,23)(H,20,21).
What are the key properties of 2-cyclopropyl-7-hydroxy-N-(piperidin-2-ylmethyl)-1H-benzimidazole-4-carboxamide?
2-cyclopropyl-7-hydroxy-N-(piperidin-2-ylmethyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-hydroxy-N-(piperidin-2-ylmethyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 46190863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).