2-(4-piperidin-3-yloxyphenyl)-3H-benzimidazole-5-carboxamide

C19H20N4O2 — CID 11624189

IUPAC2-(4-piperidin-3-yloxyphenyl)-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OC4CCCNC4)cc3)[nH]c2c1
InChIInChI=1S/C19H20N4O2/c20-18(24)13-5-8-16-17(10-13)23-19(22-16)12-3-6-14(7-4-12)25-15-2-1-9-21-11-15/h3-8,10,15,21H,1-2,9,11H2,(H2,20,24)(H,22,23)
InChIKeyKXSKDAVOXPPJKO-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.46
Rot. Bonds4

About 2-(4-piperidin-3-yloxyphenyl)-3H-benzimidazole-5-carboxamide

2-(4-piperidin-3-yloxyphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 11624189) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(4-piperidin-3-yloxyphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-piperidin-3-yloxyphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID11624189
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-(4-piperidin-3-yloxyphenyl)-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OC4CCCNC4)cc3)[nH]c2c1
InChIInChI=1S/C19H20N4O2/c20-18(24)13-5-8-16-17(10-13)23-19(22-16)12-3-6-14(7-4-12)25-15-2-1-9-21-11-15/h3-8,10,15,21H,1-2,9,11H2,(H2,20,24)(H,22,23)
InChIKeyKXSKDAVOXPPJKO-UHFFFAOYSA-N
XLogP2.46
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.46
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-yloxyphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-piperidin-3-yloxyphenyl)-3H-benzimidazole-5-carboxamide (CID 11624189) is 2-(4-piperidin-3-yloxyphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-piperidin-3-yloxyphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-piperidin-3-yloxyphenyl)-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(OC4CCCNC4)cc3)[nH]c2c1.
What is the InChIKey of 2-(4-piperidin-3-yloxyphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is KXSKDAVOXPPJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c20-18(24)13-5-8-16-17(10-13)23-19(22-16)12-3-6-14(7-4-12)25-15-2-1-9-21-11-15/h3-8,10,15,21H,1-2,9,11H2,(H2,20,24)(H,22,23).
What are the key properties of 2-(4-piperidin-3-yloxyphenyl)-3H-benzimidazole-5-carboxamide?
2-(4-piperidin-3-yloxyphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-3-yloxyphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11624189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).