6-[[6-bromo-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine

C15H13BrN8O — CID 152995883

IUPAC6-[[6-bromo-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine
SMILESCn1nnnc1-n1c(OCc2cccc(N)n2)nc2ccc(Br)cc21
InChIInChI=1S/C15H13BrN8O/c1-23-14(20-21-22-23)24-12-7-9(16)5-6-11(12)19-15(24)25-8-10-3-2-4-13(17)18-10/h2-7H,8H2,1H3,(H2,17,18)
InChIKeyUXEQVYOCGVSYHD-UHFFFAOYSA-N
MW401.23 g/mol
LogP1.87
Rot. Bonds4

About 6-[[6-bromo-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine

6-[[6-bromo-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine (PubChem CID 152995883) has the molecular formula C15H13BrN8O and a molecular weight of 401.23 g/mol. Its IUPAC name is 6-[[6-bromo-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[[6-bromo-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine
PubChem CID152995883
Molecular FormulaC15H13BrN8O
Molecular Weight401.23 g/mol
Exact Mass400.04
IUPAC Name6-[[6-bromo-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine
SMILESCn1nnnc1-n1c(OCc2cccc(N)n2)nc2ccc(Br)cc21
InChIInChI=1S/C15H13BrN8O/c1-23-14(20-21-22-23)24-12-7-9(16)5-6-11(12)19-15(24)25-8-10-3-2-4-13(17)18-10/h2-7H,8H2,1H3,(H2,17,18)
InChIKeyUXEQVYOCGVSYHD-UHFFFAOYSA-N
XLogP1.87
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N,N-dimethyl-6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine
CID 138570670
1-(1-methyltetrazol-5-yl)-2-[(6-phenyl-2-pyridinyl)methoxy]benzimidazole
CID 138570776
butyl 2-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate
CID 162029390
6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 138570429
6-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 79239271
1-(1-methyltetrazol-5-yl)-2-[(3-nitrophenyl)methoxy]benzimidazole
CID 156571088
6-[(4-bromo-2-chlorophenoxy)methyl]pyridin-2-amine
CID 79238776
N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide
CID 138576949
2,2-difluoro-N-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxyacetamide;2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)oxymethyl]-2-pyridinyl]acetamide;molecular hydrogen
CID 145383707
tert-butyl 2-[6-[[4-methoxy-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate
CID 160953940
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

Frequently Asked Questions

What is the IUPAC name of 6-[[6-bromo-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine?
The IUPAC name of 6-[[6-bromo-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine (CID 152995883) is 6-[[6-bromo-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine.
What is the SMILES notation for 6-[[6-bromo-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine?
The canonical SMILES for 6-[[6-bromo-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine is Cn1nnnc1-n1c(OCc2cccc(N)n2)nc2ccc(Br)cc21.
What is the InChIKey of 6-[[6-bromo-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine?
The InChIKey is UXEQVYOCGVSYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN8O/c1-23-14(20-21-22-23)24-12-7-9(16)5-6-11(12)19-15(24)25-8-10-3-2-4-13(17)18-10/h2-7H,8H2,1H3,(H2,17,18).
What are the key properties of 6-[[6-bromo-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine?
6-[[6-bromo-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine has a molecular weight of 401.23 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-bromo-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine is sourced from PubChem (CID 152995883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).