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

C22H32N8O2 — CID 53356978

IUPACN-[[1-[2-methyl-2-(2H-tetrazol-5-yl)propyl]piperidin-4-yl]methyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
SMILESCC(C)n1c(=O)n(C(=O)NCC2CCN(CC(C)(C)c3nn[nH]n3)CC2)c2ccccc21
InChIInChI=1S/C22H32N8O2/c1-15(2)29-17-7-5-6-8-18(17)30(21(29)32)20(31)23-13-16-9-11-28(12-10-16)14-22(3,4)19-24-26-27-25-19/h5-8,15-16H,9-14H2,1-4H3,(H,23,31)(H,24,25,26,27)
InChIKeyNOXIEKJXFBNWGK-UHFFFAOYSA-N
MW440.55 g/mol
LogP2.14
Rot. Bonds6

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

N-[[1-[2-methyl-2-(2H-tetrazol-5-yl)propyl]piperidin-4-yl]methyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide (PubChem CID 53356978) has the molecular formula C22H32N8O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[[1-[2-methyl-2-(2H-tetrazol-5-yl)propyl]piperidin-4-yl]methyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-methyl-2-(2H-tetrazol-5-yl)propyl]piperidin-4-yl]methyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
PubChem CID53356978
Molecular FormulaC22H32N8O2
Molecular Weight440.55 g/mol
Exact Mass440.26
IUPAC NameN-[[1-[2-methyl-2-(2H-tetrazol-5-yl)propyl]piperidin-4-yl]methyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
SMILESCC(C)n1c(=O)n(C(=O)NCC2CCN(CC(C)(C)c3nn[nH]n3)CC2)c2ccccc21
InChIInChI=1S/C22H32N8O2/c1-15(2)29-17-7-5-6-8-18(17)30(21(29)32)20(31)23-13-16-9-11-28(12-10-16)14-22(3,4)19-24-26-27-25-19/h5-8,15-16H,9-14H2,1-4H3,(H,23,31)(H,24,25,26,27)
InChIKeyNOXIEKJXFBNWGK-UHFFFAOYSA-N
XLogP2.14
TPSA113.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-methyl-2-(2H-tetrazol-5-yl)propyl]piperidin-4-yl]methyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
The IUPAC name of N-[[1-[2-methyl-2-(2H-tetrazol-5-yl)propyl]piperidin-4-yl]methyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide (CID 53356978) is N-[[1-[2-methyl-2-(2H-tetrazol-5-yl)propyl]piperidin-4-yl]methyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide.
What is the SMILES notation for N-[[1-[2-methyl-2-(2H-tetrazol-5-yl)propyl]piperidin-4-yl]methyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
The canonical SMILES for N-[[1-[2-methyl-2-(2H-tetrazol-5-yl)propyl]piperidin-4-yl]methyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide is CC(C)n1c(=O)n(C(=O)NCC2CCN(CC(C)(C)c3nn[nH]n3)CC2)c2ccccc21.
What is the InChIKey of N-[[1-[2-methyl-2-(2H-tetrazol-5-yl)propyl]piperidin-4-yl]methyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
The InChIKey is NOXIEKJXFBNWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N8O2/c1-15(2)29-17-7-5-6-8-18(17)30(21(29)32)20(31)23-13-16-9-11-28(12-10-16)14-22(3,4)19-24-26-27-25-19/h5-8,15-16H,9-14H2,1-4H3,(H,23,31)(H,24,25,26,27).
What are the key properties of N-[[1-[2-methyl-2-(2H-tetrazol-5-yl)propyl]piperidin-4-yl]methyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
N-[[1-[2-methyl-2-(2H-tetrazol-5-yl)propyl]piperidin-4-yl]methyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-methyl-2-(2H-tetrazol-5-yl)propyl]piperidin-4-yl]methyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide is sourced from PubChem (CID 53356978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).