4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole

C16H16N2O — CID 82947655

IUPAC4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole
SMILESCc1cc(C)c2nc(COc3ccccc3)[nH]c2c1
InChIInChI=1S/C16H16N2O/c1-11-8-12(2)16-14(9-11)17-15(18-16)10-19-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyGUURDPTWYSDZEF-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.76
Rot. Bonds3

About 4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole

4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole (PubChem CID 82947655) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole
PubChem CID82947655
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole
SMILESCc1cc(C)c2nc(COc3ccccc3)[nH]c2c1
InChIInChI=1S/C16H16N2O/c1-11-8-12(2)16-14(9-11)17-15(18-16)10-19-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyGUURDPTWYSDZEF-UHFFFAOYSA-N
XLogP3.76
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole
CID 82946869
4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 82940636
4-methyl-2-[(4-methylphenoxy)methyl]-1H-benzimidazole
CID 46264598
4,6-dimethyl-2-[(2-methylphenyl)methyl]-1H-benzimidazole
CID 82947392
2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole
CID 82007491
5-methyl-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine
CID 81137537
2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid
CID 3159719
4,6-dimethyl-2-(thiophen-3-ylmethyl)-1H-benzimidazole
CID 82947484
5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole
CID 55025178
2-(3-methoxypropyl)-4,6-dimethyl-1H-benzimidazole
CID 82946781
2-[(3-chlorophenyl)methyl]-4,6-dimethyl-1H-benzimidazole
CID 82946873
5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine
CID 103977363

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole?
The IUPAC name of 4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole (CID 82947655) is 4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole.
What is the SMILES notation for 4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole?
The canonical SMILES for 4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole is Cc1cc(C)c2nc(COc3ccccc3)[nH]c2c1.
What is the InChIKey of 4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole?
The InChIKey is GUURDPTWYSDZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-8-12(2)16-14(9-11)17-15(18-16)10-19-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole?
4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole has a molecular weight of 252.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole is sourced from PubChem (CID 82947655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).