1-methyl-3-[2-[3-(1-methyltriazol-4-yl)phenoxy]-4-pyridinyl]-2H-benzimidazole

C22H20N6O — CID 168848612

IUPAC1-methyl-3-[2-[3-(1-methyltriazol-4-yl)phenoxy]-4-pyridinyl]-2H-benzimidazole
SMILESCN1CN(c2ccnc(Oc3cccc(-c4cn(C)nn4)c3)c2)c2ccccc21
InChIInChI=1S/C22H20N6O/c1-26-15-28(21-9-4-3-8-20(21)26)17-10-11-23-22(13-17)29-18-7-5-6-16(12-18)19-14-27(2)25-24-19/h3-14H,15H2,1-2H3
InChIKeyZOXOBVUOPLXFCC-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.21
Rot. Bonds4

About 1-methyl-3-[2-[3-(1-methyltriazol-4-yl)phenoxy]-4-pyridinyl]-2H-benzimidazole

1-methyl-3-[2-[3-(1-methyltriazol-4-yl)phenoxy]-4-pyridinyl]-2H-benzimidazole (PubChem CID 168848612) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-methyl-3-[2-[3-(1-methyltriazol-4-yl)phenoxy]-4-pyridinyl]-2H-benzimidazole.

Molecular Properties

Compound Name1-methyl-3-[2-[3-(1-methyltriazol-4-yl)phenoxy]-4-pyridinyl]-2H-benzimidazole
PubChem CID168848612
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name1-methyl-3-[2-[3-(1-methyltriazol-4-yl)phenoxy]-4-pyridinyl]-2H-benzimidazole
SMILESCN1CN(c2ccnc(Oc3cccc(-c4cn(C)nn4)c3)c2)c2ccccc21
InChIInChI=1S/C22H20N6O/c1-26-15-28(21-9-4-3-8-20(21)26)17-10-11-23-22(13-17)29-18-7-5-6-16(12-18)19-14-27(2)25-24-19/h3-14H,15H2,1-2H3
InChIKeyZOXOBVUOPLXFCC-UHFFFAOYSA-N
XLogP4.21
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[3-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]phenyl]pyrido[2,3-b]indole
CID 168848406
1-[2-[3-[(4-tert-butyl-2-pyridinyl)sulfanyl]phenoxy]-4-pyridinyl]-3-methyl-2H-benzimidazole
CID 168848516
1-[2-[3-[9-(4-tert-butyl-2-pyridinyl)xanthen-9-yl]phenoxy]-4-pyridinyl]-3-methyl-2H-benzimidazole
CID 168848606
5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole
CID 140730884
1-[2-[3-[9-(4-tert-butyl-2-pyridinyl)fluoren-9-yl]phenoxy]-4-pyridinyl]-3-methyl-2H-benzimidazole
CID 168848392
1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole
CID 140729745
1-[2-[3-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1]benzosilin-5-yl]phenoxy]-4-pyridinyl]-3-methyl-2H-benzimidazole
CID 168848442
3-methyl-1-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-furo[2,3-d]imidazole
CID 140730371
11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 170668607
1-[3-tert-butyl-5-[[2-[4-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-2-pyridinyl]-4-pyridinyl]oxy]phenyl]-3-methyl-2H-benzimidazole
CID 165155015
1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium
CID 157121404
3-(1-methyltriazol-4-yl)aniline
CID 89194018

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[3-(1-methyltriazol-4-yl)phenoxy]-4-pyridinyl]-2H-benzimidazole?
The IUPAC name of 1-methyl-3-[2-[3-(1-methyltriazol-4-yl)phenoxy]-4-pyridinyl]-2H-benzimidazole (CID 168848612) is 1-methyl-3-[2-[3-(1-methyltriazol-4-yl)phenoxy]-4-pyridinyl]-2H-benzimidazole.
What is the SMILES notation for 1-methyl-3-[2-[3-(1-methyltriazol-4-yl)phenoxy]-4-pyridinyl]-2H-benzimidazole?
The canonical SMILES for 1-methyl-3-[2-[3-(1-methyltriazol-4-yl)phenoxy]-4-pyridinyl]-2H-benzimidazole is CN1CN(c2ccnc(Oc3cccc(-c4cn(C)nn4)c3)c2)c2ccccc21.
What is the InChIKey of 1-methyl-3-[2-[3-(1-methyltriazol-4-yl)phenoxy]-4-pyridinyl]-2H-benzimidazole?
The InChIKey is ZOXOBVUOPLXFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-26-15-28(21-9-4-3-8-20(21)26)17-10-11-23-22(13-17)29-18-7-5-6-16(12-18)19-14-27(2)25-24-19/h3-14H,15H2,1-2H3.
What are the key properties of 1-methyl-3-[2-[3-(1-methyltriazol-4-yl)phenoxy]-4-pyridinyl]-2H-benzimidazole?
1-methyl-3-[2-[3-(1-methyltriazol-4-yl)phenoxy]-4-pyridinyl]-2H-benzimidazole has a molecular weight of 384.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[3-(1-methyltriazol-4-yl)phenoxy]-4-pyridinyl]-2H-benzimidazole is sourced from PubChem (CID 168848612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).