1-(1-methyltetrazol-5-yl)-2-[(6-phenyl-2-pyridinyl)methoxy]benzimidazole

C21H17N7O — CID 138570776

IUPAC1-(1-methyltetrazol-5-yl)-2-[(6-phenyl-2-pyridinyl)methoxy]benzimidazole
SMILESCn1nnnc1-n1c(OCc2cccc(-c3ccccc3)n2)nc2ccccc21
InChIInChI=1S/C21H17N7O/c1-27-20(24-25-26-27)28-19-13-6-5-11-18(19)23-21(28)29-14-16-10-7-12-17(22-16)15-8-3-2-4-9-15/h2-13H,14H2,1H3
InChIKeyCREMUGIOZJKPDX-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.19
Rot. Bonds5

About 1-(1-methyltetrazol-5-yl)-2-[(6-phenyl-2-pyridinyl)methoxy]benzimidazole

1-(1-methyltetrazol-5-yl)-2-[(6-phenyl-2-pyridinyl)methoxy]benzimidazole (PubChem CID 138570776) has the molecular formula C21H17N7O and a molecular weight of 383.42 g/mol. Its IUPAC name is 1-(1-methyltetrazol-5-yl)-2-[(6-phenyl-2-pyridinyl)methoxy]benzimidazole.

Molecular Properties

Compound Name1-(1-methyltetrazol-5-yl)-2-[(6-phenyl-2-pyridinyl)methoxy]benzimidazole
PubChem CID138570776
Molecular FormulaC21H17N7O
Molecular Weight383.42 g/mol
Exact Mass383.15
IUPAC Name1-(1-methyltetrazol-5-yl)-2-[(6-phenyl-2-pyridinyl)methoxy]benzimidazole
SMILESCn1nnnc1-n1c(OCc2cccc(-c3ccccc3)n2)nc2ccccc21
InChIInChI=1S/C21H17N7O/c1-27-20(24-25-26-27)28-19-13-6-5-11-18(19)23-21(28)29-14-16-10-7-12-17(22-16)15-8-3-2-4-9-15/h2-13H,14H2,1H3
InChIKeyCREMUGIOZJKPDX-UHFFFAOYSA-N
XLogP3.19
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethyl-6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine
CID 138570670
2-[(4-methyl-2-pyridinyl)methoxy]-1-(1-methyltetrazol-5-yl)benzimidazole
CID 138570452
6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 138570429
6-[[6-bromo-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine
CID 152995883
1-(1-methyltetrazol-5-yl)-2-[(3-nitrophenyl)methoxy]benzimidazole
CID 156571088
1-(1-methyltetrazol-5-yl)-2-(pyridin-2-yloxymethyl)benzimidazole
CID 138560516
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
butyl 2-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate
CID 162029390
1-(1-methyltetrazol-5-yl)-2-(pyrimidin-4-ylmethylsulfanyl)benzimidazole
CID 135230197
N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]propanamide
CID 138576903
2-[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]ethanethioamide
CID 63637570

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltetrazol-5-yl)-2-[(6-phenyl-2-pyridinyl)methoxy]benzimidazole?
The IUPAC name of 1-(1-methyltetrazol-5-yl)-2-[(6-phenyl-2-pyridinyl)methoxy]benzimidazole (CID 138570776) is 1-(1-methyltetrazol-5-yl)-2-[(6-phenyl-2-pyridinyl)methoxy]benzimidazole.
What is the SMILES notation for 1-(1-methyltetrazol-5-yl)-2-[(6-phenyl-2-pyridinyl)methoxy]benzimidazole?
The canonical SMILES for 1-(1-methyltetrazol-5-yl)-2-[(6-phenyl-2-pyridinyl)methoxy]benzimidazole is Cn1nnnc1-n1c(OCc2cccc(-c3ccccc3)n2)nc2ccccc21.
What is the InChIKey of 1-(1-methyltetrazol-5-yl)-2-[(6-phenyl-2-pyridinyl)methoxy]benzimidazole?
The InChIKey is CREMUGIOZJKPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O/c1-27-20(24-25-26-27)28-19-13-6-5-11-18(19)23-21(28)29-14-16-10-7-12-17(22-16)15-8-3-2-4-9-15/h2-13H,14H2,1H3.
What are the key properties of 1-(1-methyltetrazol-5-yl)-2-[(6-phenyl-2-pyridinyl)methoxy]benzimidazole?
1-(1-methyltetrazol-5-yl)-2-[(6-phenyl-2-pyridinyl)methoxy]benzimidazole has a molecular weight of 383.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltetrazol-5-yl)-2-[(6-phenyl-2-pyridinyl)methoxy]benzimidazole is sourced from PubChem (CID 138570776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).