pentyl N-[6-[[1-(1,3-dimethyl-2H-tetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate

C22H28N8O3 — CID 145383698

IUPACpentyl N-[6-[[1-(1,3-dimethyl-2H-tetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate
SMILESCCCCCOC(=O)Nc1cccc(COc2nc3ccccc3n2C2=NN(C)NN2C)n1
InChIInChI=1S/C22H28N8O3/c1-4-5-8-14-32-22(31)25-19-13-9-10-16(23-19)15-33-21-24-17-11-6-7-12-18(17)30(21)20-26-29(3)27-28(20)2/h6-7,9-13,27H,4-5,8,14-15H2,1-3H3,(H,23,25,31)
InChIKeyVBQSFXATUPWFEU-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.16
Rot. Bonds8

About pentyl N-[6-[[1-(1,3-dimethyl-2H-tetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate

pentyl N-[6-[[1-(1,3-dimethyl-2H-tetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate (PubChem CID 145383698) has the molecular formula C22H28N8O3 and a molecular weight of 452.52 g/mol. Its IUPAC name is pentyl N-[6-[[1-(1,3-dimethyl-2H-tetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namepentyl N-[6-[[1-(1,3-dimethyl-2H-tetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate
PubChem CID145383698
Molecular FormulaC22H28N8O3
Molecular Weight452.52 g/mol
Exact Mass452.23
IUPAC Namepentyl N-[6-[[1-(1,3-dimethyl-2H-tetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate
SMILESCCCCCOC(=O)Nc1cccc(COc2nc3ccccc3n2C2=NN(C)NN2C)n1
InChIInChI=1S/C22H28N8O3/c1-4-5-8-14-32-22(31)25-19-13-9-10-16(23-19)15-33-21-24-17-11-6-7-12-18(17)30(21)20-26-29(3)27-28(20)2/h6-7,9-13,27H,4-5,8,14-15H2,1-3H3,(H,23,25,31)
InChIKeyVBQSFXATUPWFEU-UHFFFAOYSA-N
XLogP3.16
TPSA109.14 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze pentyl N-[6-[[1-(1,3-dimethyl-2H-tetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate with MolForge

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Related Compounds

propyl N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate
CID 138576902
ethyl N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]carbamate
CID 135230223
hexadecyl N-(1H-benzimidazol-2-yl)carbamate
CID 140968781
N-[6-[[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide
CID 157414656
hexyl 1-methylbenzimidazole-2-carboxylate
CID 135058343
dodecyl N-phenylcarbamate
CID 521818
2-pentoxy-1-prop-1-en-2-ylbenzimidazole
CID 142654038
2-butoxy-1-pyridin-4-ylbenzimidazole
CID 20535846
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215
6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 138570429
butyl 2-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate
CID 162029390

Frequently Asked Questions

What is the IUPAC name of pentyl N-[6-[[1-(1,3-dimethyl-2H-tetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate?
The IUPAC name of pentyl N-[6-[[1-(1,3-dimethyl-2H-tetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate (CID 145383698) is pentyl N-[6-[[1-(1,3-dimethyl-2H-tetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate.
What is the SMILES notation for pentyl N-[6-[[1-(1,3-dimethyl-2H-tetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate?
The canonical SMILES for pentyl N-[6-[[1-(1,3-dimethyl-2H-tetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate is CCCCCOC(=O)Nc1cccc(COc2nc3ccccc3n2C2=NN(C)NN2C)n1.
What is the InChIKey of pentyl N-[6-[[1-(1,3-dimethyl-2H-tetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate?
The InChIKey is VBQSFXATUPWFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O3/c1-4-5-8-14-32-22(31)25-19-13-9-10-16(23-19)15-33-21-24-17-11-6-7-12-18(17)30(21)20-26-29(3)27-28(20)2/h6-7,9-13,27H,4-5,8,14-15H2,1-3H3,(H,23,25,31).
What are the key properties of pentyl N-[6-[[1-(1,3-dimethyl-2H-tetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate?
pentyl N-[6-[[1-(1,3-dimethyl-2H-tetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate has a molecular weight of 452.52 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-[6-[[1-(1,3-dimethyl-2H-tetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 145383698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).