2-(2-ethyl-3H-benzimidazol-5-yl)aniline

C15H15N3 — CID 58381174

IUPAC2-(2-ethyl-3H-benzimidazol-5-yl)aniline
SMILESCCc1nc2ccc(-c3ccccc3N)cc2[nH]1
InChIInChI=1S/C15H15N3/c1-2-15-17-13-8-7-10(9-14(13)18-15)11-5-3-4-6-12(11)16/h3-9H,2,16H2,1H3,(H,17,18)
InChIKeyVFAUKSGVNCJBTA-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.37
Rot. Bonds2

About 2-(2-ethyl-3H-benzimidazol-5-yl)aniline

2-(2-ethyl-3H-benzimidazol-5-yl)aniline (PubChem CID 58381174) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(2-ethyl-3H-benzimidazol-5-yl)aniline.

Molecular Properties

Compound Name2-(2-ethyl-3H-benzimidazol-5-yl)aniline
PubChem CID58381174
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-(2-ethyl-3H-benzimidazol-5-yl)aniline
SMILESCCc1nc2ccc(-c3ccccc3N)cc2[nH]1
InChIInChI=1S/C15H15N3/c1-2-15-17-13-8-7-10(9-14(13)18-15)11-5-3-4-6-12(11)16/h3-9H,2,16H2,1H3,(H,17,18)
InChIKeyVFAUKSGVNCJBTA-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3H-benzimidazol-5-yl)aniline?
The IUPAC name of 2-(2-ethyl-3H-benzimidazol-5-yl)aniline (CID 58381174) is 2-(2-ethyl-3H-benzimidazol-5-yl)aniline.
What is the SMILES notation for 2-(2-ethyl-3H-benzimidazol-5-yl)aniline?
The canonical SMILES for 2-(2-ethyl-3H-benzimidazol-5-yl)aniline is CCc1nc2ccc(-c3ccccc3N)cc2[nH]1.
What is the InChIKey of 2-(2-ethyl-3H-benzimidazol-5-yl)aniline?
The InChIKey is VFAUKSGVNCJBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-2-15-17-13-8-7-10(9-14(13)18-15)11-5-3-4-6-12(11)16/h3-9H,2,16H2,1H3,(H,17,18).
What are the key properties of 2-(2-ethyl-3H-benzimidazol-5-yl)aniline?
2-(2-ethyl-3H-benzimidazol-5-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 2-(2-ethyl-3H-benzimidazol-5-yl)aniline is sourced from PubChem (CID 58381174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).