3-(6-ethyl-1H-benzimidazol-2-yl)aniline

C15H15N3 — CID 80502947

IUPAC3-(6-ethyl-1H-benzimidazol-2-yl)aniline
SMILESCCc1ccc2nc(-c3cccc(N)c3)[nH]c2c1
InChIInChI=1S/C15H15N3/c1-2-10-6-7-13-14(8-10)18-15(17-13)11-4-3-5-12(16)9-11/h3-9H,2,16H2,1H3,(H,17,18)
InChIKeyQYVACYYHXIPZET-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.37
Rot. Bonds2

About 3-(6-ethyl-1H-benzimidazol-2-yl)aniline

3-(6-ethyl-1H-benzimidazol-2-yl)aniline (PubChem CID 80502947) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-(6-ethyl-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Name3-(6-ethyl-1H-benzimidazol-2-yl)aniline
PubChem CID80502947
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name3-(6-ethyl-1H-benzimidazol-2-yl)aniline
SMILESCCc1ccc2nc(-c3cccc(N)c3)[nH]c2c1
InChIInChI=1S/C15H15N3/c1-2-10-6-7-13-14(8-10)18-15(17-13)11-4-3-5-12(16)9-11/h3-9H,2,16H2,1H3,(H,17,18)
InChIKeyQYVACYYHXIPZET-UHFFFAOYSA-N
XLogP3.37
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[6-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
CID 4644404
3-(6-methoxy-1H-benzimidazol-2-yl)aniline
CID 754001
2-(6-ethyl-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136813316
[2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004545
2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole
CID 107954664
3-[[[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]methyl]aniline
CID 44524923
3-(6-ethyl-1,3-benzothiazol-2-yl)aniline
CID 54858916
2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine
CID 23085660
[2-(3-bromophenyl)-3H-benzimidazol-5-yl]methanol
CID 84756442
3-(6-amino-1H-benzimidazol-2-yl)benzonitrile
CID 24707129
2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
CID 3091495
methylidene-[(2-phenyl-3H-benzimidazol-5-yl)methyl]-λ3-iodane
CID 143045069

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethyl-1H-benzimidazol-2-yl)aniline?
The IUPAC name of 3-(6-ethyl-1H-benzimidazol-2-yl)aniline (CID 80502947) is 3-(6-ethyl-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for 3-(6-ethyl-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for 3-(6-ethyl-1H-benzimidazol-2-yl)aniline is CCc1ccc2nc(-c3cccc(N)c3)[nH]c2c1.
What is the InChIKey of 3-(6-ethyl-1H-benzimidazol-2-yl)aniline?
The InChIKey is QYVACYYHXIPZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-2-10-6-7-13-14(8-10)18-15(17-13)11-4-3-5-12(16)9-11/h3-9H,2,16H2,1H3,(H,17,18).
What are the key properties of 3-(6-ethyl-1H-benzimidazol-2-yl)aniline?
3-(6-ethyl-1H-benzimidazol-2-yl)aniline has a molecular weight of 237.31 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethyl-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 80502947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).