4-(1H-benzimidazol-2-yl)-2-methylaniline

C14H13N3 — CID 2981237

IUPAC4-(1H-benzimidazol-2-yl)-2-methylaniline
SMILESCc1cc(-c2nc3ccccc3[nH]2)ccc1N
InChIInChI=1S/C14H13N3/c1-9-8-10(6-7-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3,(H,16,17)
InChIKeyKQNKTCAHTQUVBT-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.12
Rot. Bonds1

About 4-(1H-benzimidazol-2-yl)-2-methylaniline

4-(1H-benzimidazol-2-yl)-2-methylaniline (PubChem CID 2981237) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-2-methylaniline.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-2-methylaniline
PubChem CID2981237
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name4-(1H-benzimidazol-2-yl)-2-methylaniline
SMILESCc1cc(-c2nc3ccccc3[nH]2)ccc1N
InChIInChI=1S/C14H13N3/c1-9-8-10(6-7-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3,(H,16,17)
InChIKeyKQNKTCAHTQUVBT-UHFFFAOYSA-N
XLogP3.12
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.12
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 4-(1H-benzimidazol-2-yl)-2-methylaniline?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-2-methylaniline (CID 2981237) is 4-(1H-benzimidazol-2-yl)-2-methylaniline.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-2-methylaniline?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-2-methylaniline is Cc1cc(-c2nc3ccccc3[nH]2)ccc1N.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-2-methylaniline?
The InChIKey is KQNKTCAHTQUVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-9-8-10(6-7-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3,(H,16,17).
What are the key properties of 4-(1H-benzimidazol-2-yl)-2-methylaniline?
4-(1H-benzimidazol-2-yl)-2-methylaniline has a molecular weight of 223.28 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-2-methylaniline is sourced from PubChem (CID 2981237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).