2-[1-(4-cyanophenyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide

C20H19N5O — CID 25190736

IUPAC2-[1-(4-cyanophenyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide
SMILESN#Cc1ccc(N2CCC(c3nc4c(C(N)=O)cccc4[nH]3)CC2)cc1
InChIInChI=1S/C20H19N5O/c21-12-13-4-6-15(7-5-13)25-10-8-14(9-11-25)20-23-17-3-1-2-16(19(22)26)18(17)24-20/h1-7,14H,8-11H2,(H2,22,26)(H,23,24)
InChIKeyVZMBLEKOYWPSPQ-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.92
Rot. Bonds3

About 2-[1-(4-cyanophenyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide

2-[1-(4-cyanophenyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 25190736) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[1-(4-cyanophenyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(4-cyanophenyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide
PubChem CID25190736
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-[1-(4-cyanophenyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide
SMILESN#Cc1ccc(N2CCC(c3nc4c(C(N)=O)cccc4[nH]3)CC2)cc1
InChIInChI=1S/C20H19N5O/c21-12-13-4-6-15(7-5-13)25-10-8-14(9-11-25)20-23-17-3-1-2-16(19(22)26)18(17)24-20/h1-7,14H,8-11H2,(H2,22,26)(H,23,24)
InChIKeyVZMBLEKOYWPSPQ-UHFFFAOYSA-N
XLogP2.92
TPSA98.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyanophenyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[1-(4-cyanophenyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide (CID 25190736) is 2-[1-(4-cyanophenyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[1-(4-cyanophenyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[1-(4-cyanophenyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide is N#Cc1ccc(N2CCC(c3nc4c(C(N)=O)cccc4[nH]3)CC2)cc1.
What is the InChIKey of 2-[1-(4-cyanophenyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is VZMBLEKOYWPSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c21-12-13-4-6-15(7-5-13)25-10-8-14(9-11-25)20-23-17-3-1-2-16(19(22)26)18(17)24-20/h1-7,14H,8-11H2,(H2,22,26)(H,23,24).
What are the key properties of 2-[1-(4-cyanophenyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide?
2-[1-(4-cyanophenyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyanophenyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25190736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).