6-methoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole

C22H21N3O4 — CID 155550554

IUPAC6-methoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole
SMILESCOc1ccc2nc(-c3cccnc3-c3cc(OC)c(OC)c(OC)c3)[nH]c2c1
InChIInChI=1S/C22H21N3O4/c1-26-14-7-8-16-17(12-14)25-22(24-16)15-6-5-9-23-20(15)13-10-18(27-2)21(29-4)19(11-13)28-3/h5-12H,1-4H3,(H,24,25)
InChIKeyMBTSUJWRLIRABZ-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.33
Rot. Bonds6

About 6-methoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole

6-methoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole (PubChem CID 155550554) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 6-methoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole
PubChem CID155550554
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name6-methoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole
SMILESCOc1ccc2nc(-c3cccnc3-c3cc(OC)c(OC)c(OC)c3)[nH]c2c1
InChIInChI=1S/C22H21N3O4/c1-26-14-7-8-16-17(12-14)25-22(24-16)15-6-5-9-23-20(15)13-10-18(27-2)21(29-4)19(11-13)28-3/h5-12H,1-4H3,(H,24,25)
InChIKeyMBTSUJWRLIRABZ-UHFFFAOYSA-N
XLogP4.33
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-methoxy-1H-benzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indole
CID 155806851
6-methoxy-2-naphthalen-1-yl-1H-benzimidazole
CID 65017512
2-(2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017607
5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole
CID 62874984
2-[4,5-bis(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]-3-methylpyridine
CID 44604780
6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 924719
2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline
CID 107049937
8-methoxy-5-(6-methoxy-1H-benzimidazol-2-yl)-2-methylquinoline
CID 18784006
2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole
CID 65017877
6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole
CID 60646512
2-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]ethanamine
CID 65017722
2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370448

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole (CID 155550554) is 6-methoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole is COc1ccc2nc(-c3cccnc3-c3cc(OC)c(OC)c(OC)c3)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole?
The InChIKey is MBTSUJWRLIRABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-26-14-7-8-16-17(12-14)25-22(24-16)15-6-5-9-23-20(15)13-10-18(27-2)21(29-4)19(11-13)28-3/h5-12H,1-4H3,(H,24,25).
What are the key properties of 6-methoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole?
6-methoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole has a molecular weight of 391.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 155550554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).