2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole

C17H18N2O2 — CID 62337492

IUPAC2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
SMILESCOc1ccc(OC)c(-c2nc3cc(C)c(C)cc3[nH]2)c1
InChIInChI=1S/C17H18N2O2/c1-10-7-14-15(8-11(10)2)19-17(18-14)13-9-12(20-3)5-6-16(13)21-4/h5-9H,1-4H3,(H,18,19)
InChIKeyMXBADKARIHXJED-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.86
Rot. Bonds3

About 2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole

2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole (PubChem CID 62337492) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
PubChem CID62337492
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
SMILESCOc1ccc(OC)c(-c2nc3cc(C)c(C)cc3[nH]2)c1
InChIInChI=1S/C17H18N2O2/c1-10-7-14-15(8-11(10)2)19-17(18-14)13-9-12(20-3)5-6-16(13)21-4/h5-9H,1-4H3,(H,18,19)
InChIKeyMXBADKARIHXJED-UHFFFAOYSA-N
XLogP3.86
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methoxyaniline
CID 115411342
6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole
CID 60646512
2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370448
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
2-(2,5-dimethoxyphenyl)-6-nitro-1H-benzimidazole
CID 110538644
2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole
CID 65017877
8-(2,5-dimethoxyphenyl)-7H-purine
CID 114402502
5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 82004397
6-bromo-2-(2-bromo-5-methoxyphenyl)-1H-benzimidazole
CID 64724147
2-(2-bromo-3,4,5-trimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 82144267
8-methoxy-5-(6-methoxy-1H-benzimidazol-2-yl)-2-methylquinoline
CID 18784006
2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110538773

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole (CID 62337492) is 2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole is COc1ccc(OC)c(-c2nc3cc(C)c(C)cc3[nH]2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole?
The InChIKey is MXBADKARIHXJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-10-7-14-15(8-11(10)2)19-17(18-14)13-9-12(20-3)5-6-16(13)21-4/h5-9H,1-4H3,(H,18,19).
What are the key properties of 2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole?
2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole has a molecular weight of 282.34 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 62337492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).