1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole

C26H28N4O — CID 140729745

IUPAC1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole
SMILESCC1=C(C)N(c2cccc(Oc3cccc(N4CN(C)c5ccccc54)c3)c2)CN1C
InChIInChI=1S/C26H28N4O/c1-19-20(2)29(17-27(19)3)21-9-7-11-23(15-21)31-24-12-8-10-22(16-24)30-18-28(4)25-13-5-6-14-26(25)30/h5-16H,17-18H2,1-4H3
InChIKeyYOXCGGQEBYZROM-UHFFFAOYSA-N
MW412.54 g/mol
LogP5.99
Rot. Bonds4

About 1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole

1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole (PubChem CID 140729745) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole.

Molecular Properties

Compound Name1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole
PubChem CID140729745
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole
SMILESCC1=C(C)N(c2cccc(Oc3cccc(N4CN(C)c5ccccc54)c3)c2)CN1C
InChIInChI=1S/C26H28N4O/c1-19-20(2)29(17-27(19)3)21-9-7-11-23(15-21)31-24-12-8-10-22(16-24)30-18-28(4)25-13-5-6-14-26(25)30/h5-16H,17-18H2,1-4H3
InChIKeyYOXCGGQEBYZROM-UHFFFAOYSA-N
XLogP5.99
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-furo[2,3-d]imidazole
CID 140730371
1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium
CID 157121404
2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole
CID 165154915
5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole
CID 140730884
1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole
CID 164731879
1-[3-[3-[3-[4-[3-[3-[3-(5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazole
CID 166007130
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
8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine
CID 162272328
1-methyl-3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazole
CID 164730507
4-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-2-quinolin-2-ylquinoline
CID 165377449
9-[3-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]phenyl]pyrido[2,3-b]indole
CID 168848406
1-[3-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3-methyl-2H-benzimidazole
CID 140715964

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole?
The IUPAC name of 1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole (CID 140729745) is 1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole.
What is the SMILES notation for 1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole?
The canonical SMILES for 1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole is CC1=C(C)N(c2cccc(Oc3cccc(N4CN(C)c5ccccc54)c3)c2)CN1C.
What is the InChIKey of 1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole?
The InChIKey is YOXCGGQEBYZROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-19-20(2)29(17-27(19)3)21-9-7-11-23(15-21)31-24-12-8-10-22(16-24)30-18-28(4)25-13-5-6-14-26(25)30/h5-16H,17-18H2,1-4H3.
What are the key properties of 1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole?
1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole has a molecular weight of 412.54 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole is sourced from PubChem (CID 140729745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).