7-hydroxy-2-phenyl-N-(piperidin-3-ylmethyl)-1H-benzimidazole-4-carboxamide

C20H22N4O2 — CID 46190936

IUPAC7-hydroxy-2-phenyl-N-(piperidin-3-ylmethyl)-1H-benzimidazole-4-carboxamide
SMILESO=C(NCC1CCCNC1)c1ccc(O)c2[nH]c(-c3ccccc3)nc12
InChIInChI=1S/C20H22N4O2/c25-16-9-8-15(20(26)22-12-13-5-4-10-21-11-13)17-18(16)24-19(23-17)14-6-2-1-3-7-14/h1-3,6-9,13,21,25H,4-5,10-12H2,(H,22,26)(H,23,24)
InChIKeyQUHAKLIRTFIRPF-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.66
Rot. Bonds4

About 7-hydroxy-2-phenyl-N-(piperidin-3-ylmethyl)-1H-benzimidazole-4-carboxamide

7-hydroxy-2-phenyl-N-(piperidin-3-ylmethyl)-1H-benzimidazole-4-carboxamide (PubChem CID 46190936) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 7-hydroxy-2-phenyl-N-(piperidin-3-ylmethyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name7-hydroxy-2-phenyl-N-(piperidin-3-ylmethyl)-1H-benzimidazole-4-carboxamide
PubChem CID46190936
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name7-hydroxy-2-phenyl-N-(piperidin-3-ylmethyl)-1H-benzimidazole-4-carboxamide
SMILESO=C(NCC1CCCNC1)c1ccc(O)c2[nH]c(-c3ccccc3)nc12
InChIInChI=1S/C20H22N4O2/c25-16-9-8-15(20(26)22-12-13-5-4-10-21-11-13)17-18(16)24-19(23-17)14-6-2-1-3-7-14/h1-3,6-9,13,21,25H,4-5,10-12H2,(H,22,26)(H,23,24)
InChIKeyQUHAKLIRTFIRPF-UHFFFAOYSA-N
XLogP2.66
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-phenyl-N-(piperidin-3-ylmethyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 7-hydroxy-2-phenyl-N-(piperidin-3-ylmethyl)-1H-benzimidazole-4-carboxamide (CID 46190936) is 7-hydroxy-2-phenyl-N-(piperidin-3-ylmethyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 7-hydroxy-2-phenyl-N-(piperidin-3-ylmethyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 7-hydroxy-2-phenyl-N-(piperidin-3-ylmethyl)-1H-benzimidazole-4-carboxamide is O=C(NCC1CCCNC1)c1ccc(O)c2[nH]c(-c3ccccc3)nc12.
What is the InChIKey of 7-hydroxy-2-phenyl-N-(piperidin-3-ylmethyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is QUHAKLIRTFIRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-16-9-8-15(20(26)22-12-13-5-4-10-21-11-13)17-18(16)24-19(23-17)14-6-2-1-3-7-14/h1-3,6-9,13,21,25H,4-5,10-12H2,(H,22,26)(H,23,24).
What are the key properties of 7-hydroxy-2-phenyl-N-(piperidin-3-ylmethyl)-1H-benzimidazole-4-carboxamide?
7-hydroxy-2-phenyl-N-(piperidin-3-ylmethyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-phenyl-N-(piperidin-3-ylmethyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 46190936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).