2-methoxy-4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)aniline

C18H21N3O — CID 82333398

IUPAC2-methoxy-4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)aniline
SMILESCOc1cc(-c2nc3cc(C)ccc3n2C(C)C)ccc1N
InChIInChI=1S/C18H21N3O/c1-11(2)21-16-8-5-12(3)9-15(16)20-18(21)13-6-7-14(19)17(10-13)22-4/h5-11H,19H2,1-4H3
InChIKeyQOYMXTBXUIXMBY-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.18
Rot. Bonds3

About 2-methoxy-4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)aniline

2-methoxy-4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)aniline (PubChem CID 82333398) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-methoxy-4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2-methoxy-4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)aniline
PubChem CID82333398
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-methoxy-4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)aniline
SMILESCOc1cc(-c2nc3cc(C)ccc3n2C(C)C)ccc1N
InChIInChI=1S/C18H21N3O/c1-11(2)21-16-8-5-12(3)9-15(16)20-18(21)13-6-7-14(19)17(10-13)22-4/h5-11H,19H2,1-4H3
InChIKeyQOYMXTBXUIXMBY-UHFFFAOYSA-N
XLogP4.18
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 63188091
2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
CID 82354639
5-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)thiophen-2-amine
CID 54919687
2-amino-4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872091
2-amino-4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872096
(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 60784993
2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872074
2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54919779
2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 60785148
4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyaniline
CID 82472145
3-(1-propan-2-ylbenzimidazol-2-yl)aniline
CID 4605444
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
CID 157477717

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)aniline?
The IUPAC name of 2-methoxy-4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)aniline (CID 82333398) is 2-methoxy-4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 2-methoxy-4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)aniline?
The canonical SMILES for 2-methoxy-4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)aniline is COc1cc(-c2nc3cc(C)ccc3n2C(C)C)ccc1N.
What is the InChIKey of 2-methoxy-4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)aniline?
The InChIKey is QOYMXTBXUIXMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-11(2)21-16-8-5-12(3)9-15(16)20-18(21)13-6-7-14(19)17(10-13)22-4/h5-11H,19H2,1-4H3.
What are the key properties of 2-methoxy-4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)aniline?
2-methoxy-4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)aniline has a molecular weight of 295.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 82333398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).