1-(2-methoxyethyl)-4,6-dimethylbenzimidazol-2-amine

C12H17N3O — CID 91671831

IUPAC1-(2-methoxyethyl)-4,6-dimethylbenzimidazol-2-amine
SMILESCOCCn1c(N)nc2c(C)cc(C)cc21
InChIInChI=1S/C12H17N3O/c1-8-6-9(2)11-10(7-8)15(4-5-16-3)12(13)14-11/h6-7H,4-5H2,1-3H3,(H2,13,14)
InChIKeyPBVZYTODRFTFHB-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.88
Rot. Bonds3

About 1-(2-methoxyethyl)-4,6-dimethylbenzimidazol-2-amine

1-(2-methoxyethyl)-4,6-dimethylbenzimidazol-2-amine (PubChem CID 91671831) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4,6-dimethylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4,6-dimethylbenzimidazol-2-amine
PubChem CID91671831
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(2-methoxyethyl)-4,6-dimethylbenzimidazol-2-amine
SMILESCOCCn1c(N)nc2c(C)cc(C)cc21
InChIInChI=1S/C12H17N3O/c1-8-6-9(2)11-10(7-8)15(4-5-16-3)12(13)14-11/h6-7H,4-5H2,1-3H3,(H2,13,14)
InChIKeyPBVZYTODRFTFHB-UHFFFAOYSA-N
XLogP1.88
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4,6-dimethylbenzimidazol-2-amine
CID 91671833
5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine
CID 103592868
1,2,4,6-tetramethylbenzimidazole
CID 58565379
6-methyl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763119
2-chloro-1-(2-methoxyethyl)-4,6-dimethylindole-3-carbaldehyde
CID 82269167
3-(4-methoxybutyl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288958
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4,6-dimethylaniline
CID 63112611
1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine
CID 115552278
6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine
CID 65347072
6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine
CID 66101386
2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine
CID 171338197
1-(2-methoxyethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543015

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4,6-dimethylbenzimidazol-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-4,6-dimethylbenzimidazol-2-amine (CID 91671831) is 1-(2-methoxyethyl)-4,6-dimethylbenzimidazol-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-4,6-dimethylbenzimidazol-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-4,6-dimethylbenzimidazol-2-amine is COCCn1c(N)nc2c(C)cc(C)cc21.
What is the InChIKey of 1-(2-methoxyethyl)-4,6-dimethylbenzimidazol-2-amine?
The InChIKey is PBVZYTODRFTFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-6-9(2)11-10(7-8)15(4-5-16-3)12(13)14-11/h6-7H,4-5H2,1-3H3,(H2,13,14).
What are the key properties of 1-(2-methoxyethyl)-4,6-dimethylbenzimidazol-2-amine?
1-(2-methoxyethyl)-4,6-dimethylbenzimidazol-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4,6-dimethylbenzimidazol-2-amine is sourced from PubChem (CID 91671831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).