2-[4-(piperidin-3-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide

C20H22N4O2 — CID 11508557

IUPAC2-[4-(piperidin-3-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OCC4CCCNC4)cc3)[nH]c2c1
InChIInChI=1S/C20H22N4O2/c21-19(25)15-5-8-17-18(10-15)24-20(23-17)14-3-6-16(7-4-14)26-12-13-2-1-9-22-11-13/h3-8,10,13,22H,1-2,9,11-12H2,(H2,21,25)(H,23,24)
InChIKeyAMTUNJZIRPFUCY-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.71
Rot. Bonds5

About 2-[4-(piperidin-3-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide

2-[4-(piperidin-3-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11508557) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[4-(piperidin-3-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(piperidin-3-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11508557
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[4-(piperidin-3-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OCC4CCCNC4)cc3)[nH]c2c1
InChIInChI=1S/C20H22N4O2/c21-19(25)15-5-8-17-18(10-15)24-20(23-17)14-3-6-16(7-4-14)26-12-13-2-1-9-22-11-13/h3-8,10,13,22H,1-2,9,11-12H2,(H2,21,25)(H,23,24)
InChIKeyAMTUNJZIRPFUCY-UHFFFAOYSA-N
XLogP2.71
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(piperidin-3-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(piperidin-3-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide (CID 11508557) is 2-[4-(piperidin-3-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(piperidin-3-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(piperidin-3-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(OCC4CCCNC4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(piperidin-3-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is AMTUNJZIRPFUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c21-19(25)15-5-8-17-18(10-15)24-20(23-17)14-3-6-16(7-4-14)26-12-13-2-1-9-22-11-13/h3-8,10,13,22H,1-2,9,11-12H2,(H2,21,25)(H,23,24).
What are the key properties of 2-[4-(piperidin-3-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(piperidin-3-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(piperidin-3-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11508557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).