2-oxo-3-propan-2-yl-N-[[1-[[1-(2H-tetrazol-5-yl)cyclopentyl]methyl]piperidin-4-yl]methyl]benzimidazole-1-carboxamide

C24H34N8O2 — CID 53356965

IUPAC2-oxo-3-propan-2-yl-N-[[1-[[1-(2H-tetrazol-5-yl)cyclopentyl]methyl]piperidin-4-yl]methyl]benzimidazole-1-carboxamide
SMILESCC(C)n1c(=O)n(C(=O)NCC2CCN(CC3(c4nn[nH]n4)CCCC3)CC2)c2ccccc21
InChIInChI=1S/C24H34N8O2/c1-17(2)31-19-7-3-4-8-20(19)32(23(31)34)22(33)25-15-18-9-13-30(14-10-18)16-24(11-5-6-12-24)21-26-28-29-27-21/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3,(H,25,33)(H,26,27,28,29)
InChIKeyCRBSQORJNIGORT-UHFFFAOYSA-N
MW466.59 g/mol
LogP2.68
Rot. Bonds6

About 2-oxo-3-propan-2-yl-N-[[1-[[1-(2H-tetrazol-5-yl)cyclopentyl]methyl]piperidin-4-yl]methyl]benzimidazole-1-carboxamide

2-oxo-3-propan-2-yl-N-[[1-[[1-(2H-tetrazol-5-yl)cyclopentyl]methyl]piperidin-4-yl]methyl]benzimidazole-1-carboxamide (PubChem CID 53356965) has the molecular formula C24H34N8O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 2-oxo-3-propan-2-yl-N-[[1-[[1-(2H-tetrazol-5-yl)cyclopentyl]methyl]piperidin-4-yl]methyl]benzimidazole-1-carboxamide.

Molecular Properties

Compound Name2-oxo-3-propan-2-yl-N-[[1-[[1-(2H-tetrazol-5-yl)cyclopentyl]methyl]piperidin-4-yl]methyl]benzimidazole-1-carboxamide
PubChem CID53356965
Molecular FormulaC24H34N8O2
Molecular Weight466.59 g/mol
Exact Mass466.28
IUPAC Name2-oxo-3-propan-2-yl-N-[[1-[[1-(2H-tetrazol-5-yl)cyclopentyl]methyl]piperidin-4-yl]methyl]benzimidazole-1-carboxamide
SMILESCC(C)n1c(=O)n(C(=O)NCC2CCN(CC3(c4nn[nH]n4)CCCC3)CC2)c2ccccc21
InChIInChI=1S/C24H34N8O2/c1-17(2)31-19-7-3-4-8-20(19)32(23(31)34)22(33)25-15-18-9-13-30(14-10-18)16-24(11-5-6-12-24)21-26-28-29-27-21/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3,(H,25,33)(H,26,27,28,29)
InChIKeyCRBSQORJNIGORT-UHFFFAOYSA-N
XLogP2.68
TPSA113.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-propan-2-yl-N-[[1-[[1-(2H-tetrazol-5-yl)cyclopentyl]methyl]piperidin-4-yl]methyl]benzimidazole-1-carboxamide?
The IUPAC name of 2-oxo-3-propan-2-yl-N-[[1-[[1-(2H-tetrazol-5-yl)cyclopentyl]methyl]piperidin-4-yl]methyl]benzimidazole-1-carboxamide (CID 53356965) is 2-oxo-3-propan-2-yl-N-[[1-[[1-(2H-tetrazol-5-yl)cyclopentyl]methyl]piperidin-4-yl]methyl]benzimidazole-1-carboxamide.
What is the SMILES notation for 2-oxo-3-propan-2-yl-N-[[1-[[1-(2H-tetrazol-5-yl)cyclopentyl]methyl]piperidin-4-yl]methyl]benzimidazole-1-carboxamide?
The canonical SMILES for 2-oxo-3-propan-2-yl-N-[[1-[[1-(2H-tetrazol-5-yl)cyclopentyl]methyl]piperidin-4-yl]methyl]benzimidazole-1-carboxamide is CC(C)n1c(=O)n(C(=O)NCC2CCN(CC3(c4nn[nH]n4)CCCC3)CC2)c2ccccc21.
What is the InChIKey of 2-oxo-3-propan-2-yl-N-[[1-[[1-(2H-tetrazol-5-yl)cyclopentyl]methyl]piperidin-4-yl]methyl]benzimidazole-1-carboxamide?
The InChIKey is CRBSQORJNIGORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N8O2/c1-17(2)31-19-7-3-4-8-20(19)32(23(31)34)22(33)25-15-18-9-13-30(14-10-18)16-24(11-5-6-12-24)21-26-28-29-27-21/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3,(H,25,33)(H,26,27,28,29).
What are the key properties of 2-oxo-3-propan-2-yl-N-[[1-[[1-(2H-tetrazol-5-yl)cyclopentyl]methyl]piperidin-4-yl]methyl]benzimidazole-1-carboxamide?
2-oxo-3-propan-2-yl-N-[[1-[[1-(2H-tetrazol-5-yl)cyclopentyl]methyl]piperidin-4-yl]methyl]benzimidazole-1-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-propan-2-yl-N-[[1-[[1-(2H-tetrazol-5-yl)cyclopentyl]methyl]piperidin-4-yl]methyl]benzimidazole-1-carboxamide is sourced from PubChem (CID 53356965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).