2-(4-piperidin-4-ylphenyl)-1H-benzimidazole-4-carboxamide

C19H20N4O — CID 16665391

IUPAC2-(4-piperidin-4-ylphenyl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(C4CCNCC4)cc3)nc12
InChIInChI=1S/C19H20N4O/c20-18(24)15-2-1-3-16-17(15)23-19(22-16)14-6-4-12(5-7-14)13-8-10-21-11-9-13/h1-7,13,21H,8-11H2,(H2,20,24)(H,22,23)
InChIKeyFJMYVHKWFNIERC-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.80
Rot. Bonds3

About 2-(4-piperidin-4-ylphenyl)-1H-benzimidazole-4-carboxamide

2-(4-piperidin-4-ylphenyl)-1H-benzimidazole-4-carboxamide (PubChem CID 16665391) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-(4-piperidin-4-ylphenyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-piperidin-4-ylphenyl)-1H-benzimidazole-4-carboxamide
PubChem CID16665391
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-(4-piperidin-4-ylphenyl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(C4CCNCC4)cc3)nc12
InChIInChI=1S/C19H20N4O/c20-18(24)15-2-1-3-16-17(15)23-19(22-16)14-6-4-12(5-7-14)13-8-10-21-11-9-13/h1-7,13,21H,8-11H2,(H2,20,24)(H,22,23)
InChIKeyFJMYVHKWFNIERC-UHFFFAOYSA-N
XLogP2.80
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-4-ylphenyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(4-piperidin-4-ylphenyl)-1H-benzimidazole-4-carboxamide (CID 16665391) is 2-(4-piperidin-4-ylphenyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(4-piperidin-4-ylphenyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(4-piperidin-4-ylphenyl)-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3ccc(C4CCNCC4)cc3)nc12.
What is the InChIKey of 2-(4-piperidin-4-ylphenyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is FJMYVHKWFNIERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c20-18(24)15-2-1-3-16-17(15)23-19(22-16)14-6-4-12(5-7-14)13-8-10-21-11-9-13/h1-7,13,21H,8-11H2,(H2,20,24)(H,22,23).
What are the key properties of 2-(4-piperidin-4-ylphenyl)-1H-benzimidazole-4-carboxamide?
2-(4-piperidin-4-ylphenyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-4-ylphenyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 16665391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).