2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole

C16H16N2O — CID 65017877

IUPAC2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(-c3cc(C)ccc3C)[nH]c2c1
InChIInChI=1S/C16H16N2O/c1-10-4-5-11(2)13(8-10)16-17-14-7-6-12(19-3)9-15(14)18-16/h4-9H,1-3H3,(H,17,18)
InChIKeyPDVLIIKFSOCTKC-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.86
Rot. Bonds2

About 2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole

2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole (PubChem CID 65017877) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole
PubChem CID65017877
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(-c3cc(C)ccc3C)[nH]c2c1
InChIInChI=1S/C16H16N2O/c1-10-4-5-11(2)13(8-10)16-17-14-7-6-12(19-3)9-15(14)18-16/h4-9H,1-3H3,(H,17,18)
InChIKeyPDVLIIKFSOCTKC-UHFFFAOYSA-N
XLogP3.86
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(1H-benzimidazol-2-yl)-5-[4-(1H-benzimidazol-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)phenoxy]phenyl]-6-methyl-1H-benzimidazole
CID 59762586
3-(6-methoxy-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine
CID 65017726
2-(2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017607
6-methoxy-2-naphthalen-1-yl-1H-benzimidazole
CID 65017512
8-methoxy-5-(6-methoxy-1H-benzimidazol-2-yl)-2-methylquinoline
CID 18784006
6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole
CID 114821621
2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 62337492
2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65018051
4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol
CID 135905264
2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole
CID 146582271
2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methoxyaniline
CID 115411342
6-bromo-2-(2-bromo-5-methoxyphenyl)-1H-benzimidazole
CID 64724147

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole (CID 65017877) is 2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole is COc1ccc2nc(-c3cc(C)ccc3C)[nH]c2c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole?
The InChIKey is PDVLIIKFSOCTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-10-4-5-11(2)13(8-10)16-17-14-7-6-12(19-3)9-15(14)18-16/h4-9H,1-3H3,(H,17,18).
What are the key properties of 2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole?
2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole has a molecular weight of 252.32 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 65017877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).