N-[4-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-1,3-thiazol-2-yl]pentanamide

C18H19ClN8O2S — CID 138577089

IUPACN-[4-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nc(COc2nc3c(Cl)cccc3n2-c2nnnn2C)cs1
InChIInChI=1S/C18H19ClN8O2S/c1-3-4-8-14(28)21-16-20-11(10-30-16)9-29-18-22-15-12(19)6-5-7-13(15)27(18)17-23-24-25-26(17)2/h5-7,10H,3-4,8-9H2,1-2H3,(H,20,21,28)
InChIKeyWZADNOQKVOCJHR-UHFFFAOYSA-N
MW446.92 g/mol
LogP3.37
Rot. Bonds8

About N-[4-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-1,3-thiazol-2-yl]pentanamide

N-[4-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-1,3-thiazol-2-yl]pentanamide (PubChem CID 138577089) has the molecular formula C18H19ClN8O2S and a molecular weight of 446.92 g/mol. Its IUPAC name is N-[4-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-1,3-thiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-[4-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-1,3-thiazol-2-yl]pentanamide
PubChem CID138577089
Molecular FormulaC18H19ClN8O2S
Molecular Weight446.92 g/mol
Exact Mass446.10
IUPAC NameN-[4-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nc(COc2nc3c(Cl)cccc3n2-c2nnnn2C)cs1
InChIInChI=1S/C18H19ClN8O2S/c1-3-4-8-14(28)21-16-20-11(10-30-16)9-29-18-22-15-12(19)6-5-7-13(15)27(18)17-23-24-25-26(17)2/h5-7,10H,3-4,8-9H2,1-2H3,(H,20,21,28)
InChIKeyWZADNOQKVOCJHR-UHFFFAOYSA-N
XLogP3.37
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.92
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]propanamide
CID 138576903
N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide
CID 138576949
propyl N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate
CID 138576902
2-methylpropyl N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate
CID 138576896
cyclopentyl 2-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate
CID 160899026
N-[4-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]hexanamide
CID 58806356
tert-butyl 2-[6-[[4-methoxy-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate
CID 160953940
N-(4-chloro-1,3-benzothiazol-2-yl)hexanamide
CID 3626917
butyl 2-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate
CID 162029390
N-(4-ethyl-1,3-thiazol-2-yl)butanamide
CID 87065374
methyl 2-[2-(heptanoylamino)-1,3-thiazol-4-yl]acetate
CID 43431303
3,3-dicyclopropyl-N-[4-[[(E)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 66547557

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-1,3-thiazol-2-yl]pentanamide?
The IUPAC name of N-[4-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-1,3-thiazol-2-yl]pentanamide (CID 138577089) is N-[4-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-1,3-thiazol-2-yl]pentanamide.
What is the SMILES notation for N-[4-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-1,3-thiazol-2-yl]pentanamide?
The canonical SMILES for N-[4-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-1,3-thiazol-2-yl]pentanamide is CCCCC(=O)Nc1nc(COc2nc3c(Cl)cccc3n2-c2nnnn2C)cs1.
What is the InChIKey of N-[4-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-1,3-thiazol-2-yl]pentanamide?
The InChIKey is WZADNOQKVOCJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN8O2S/c1-3-4-8-14(28)21-16-20-11(10-30-16)9-29-18-22-15-12(19)6-5-7-13(15)27(18)17-23-24-25-26(17)2/h5-7,10H,3-4,8-9H2,1-2H3,(H,20,21,28).
What are the key properties of N-[4-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-1,3-thiazol-2-yl]pentanamide?
N-[4-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-1,3-thiazol-2-yl]pentanamide has a molecular weight of 446.92 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-1,3-thiazol-2-yl]pentanamide is sourced from PubChem (CID 138577089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).