2-[[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile

C25H29N5O — CID 44578978

IUPAC2-[[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIInChI=1S/C25H29N5O/c26-17-19-5-1-2-6-20(19)18-28-13-9-21(10-14-28)29-15-11-22(12-16-29)30-24-8-4-3-7-23(24)27-25(30)31/h1-8,21-22H,9-16,18H2,(H,27,31)
InChIKeyWRCIAIDMFLNHQO-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.50
Rot. Bonds4

About 2-[[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile

2-[[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile (PubChem CID 44578978) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-[[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile
PubChem CID44578978
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name2-[[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIInChI=1S/C25H29N5O/c26-17-19-5-1-2-6-20(19)18-28-13-9-21(10-14-28)29-15-11-22(12-16-29)30-24-8-4-3-7-23(24)27-25(30)31/h1-8,21-22H,9-16,18H2,(H,27,31)
InChIKeyWRCIAIDMFLNHQO-UHFFFAOYSA-N
XLogP3.50
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile (CID 44578978) is 2-[[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile is N#Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1.
What is the InChIKey of 2-[[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile?
The InChIKey is WRCIAIDMFLNHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c26-17-19-5-1-2-6-20(19)18-28-13-9-21(10-14-28)29-15-11-22(12-16-29)30-24-8-4-3-7-23(24)27-25(30)31/h1-8,21-22H,9-16,18H2,(H,27,31).
What are the key properties of 2-[[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile?
2-[[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile has a molecular weight of 415.54 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 44578978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).