2-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)-1H-benzimidazole

C21H19N3O — CID 169002843

IUPAC2-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)-1H-benzimidazole
SMILESCc1cc(C)c(-c2nc3ccccc3[nH]2)c(OCc2ccccc2)n1
InChIInChI=1S/C21H19N3O/c1-14-12-15(2)22-21(25-13-16-8-4-3-5-9-16)19(14)20-23-17-10-6-7-11-18(17)24-20/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyGDCZMPOZIHYMLX-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.82
Rot. Bonds4

About 2-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)-1H-benzimidazole

2-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)-1H-benzimidazole (PubChem CID 169002843) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)-1H-benzimidazole
PubChem CID169002843
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)-1H-benzimidazole
SMILESCc1cc(C)c(-c2nc3ccccc3[nH]2)c(OCc2ccccc2)n1
InChIInChI=1S/C21H19N3O/c1-14-12-15(2)22-21(25-13-16-8-4-3-5-9-16)19(14)20-23-17-10-6-7-11-18(17)24-20/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyGDCZMPOZIHYMLX-UHFFFAOYSA-N
XLogP4.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole
CID 110535118
2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole
CID 168555593
1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone
CID 118546342
N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide
CID 61177131
N-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62291538
2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535216
2-[4-[(2,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole
CID 168553774
2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
CID 70473266
6-fluoro-2-(2-fluoro-4,5-dimethyl-3-phenylmethoxyphenyl)-1H-benzimidazole
CID 170036536
2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole
CID 22475730
(3-amino-6-methyl-2-phenylmethoxy-4-pyridinyl)methanol
CID 139508361

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)-1H-benzimidazole?
The IUPAC name of 2-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)-1H-benzimidazole (CID 169002843) is 2-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 2-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 2-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)-1H-benzimidazole is Cc1cc(C)c(-c2nc3ccccc3[nH]2)c(OCc2ccccc2)n1.
What is the InChIKey of 2-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)-1H-benzimidazole?
The InChIKey is GDCZMPOZIHYMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-14-12-15(2)22-21(25-13-16-8-4-3-5-9-16)19(14)20-23-17-10-6-7-11-18(17)24-20/h3-12H,13H2,1-2H3,(H,23,24).
What are the key properties of 2-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)-1H-benzimidazole?
2-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)-1H-benzimidazole has a molecular weight of 329.40 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 169002843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).