4-(1H-benzo[f]benzimidazol-2-ylmethyl)aniline

C18H15N3 — CID 1084684

IUPAC4-(1H-benzo[f]benzimidazol-2-ylmethyl)aniline
SMILESNc1ccc(Cc2nc3cc4ccccc4cc3[nH]2)cc1
InChIInChI=1S/C18H15N3/c19-15-7-5-12(6-8-15)9-18-20-16-10-13-3-1-2-4-14(13)11-17(16)21-18/h1-8,10-11H,9,19H2,(H,20,21)
InChIKeyTYKIKQYJBYCZDB-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.89
Rot. Bonds2

About 4-(1H-benzo[f]benzimidazol-2-ylmethyl)aniline

4-(1H-benzo[f]benzimidazol-2-ylmethyl)aniline (PubChem CID 1084684) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(1H-benzo[f]benzimidazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(1H-benzo[f]benzimidazol-2-ylmethyl)aniline
PubChem CID1084684
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name4-(1H-benzo[f]benzimidazol-2-ylmethyl)aniline
SMILESNc1ccc(Cc2nc3cc4ccccc4cc3[nH]2)cc1
InChIInChI=1S/C18H15N3/c19-15-7-5-12(6-8-15)9-18-20-16-10-13-3-1-2-4-14(13)11-17(16)21-18/h1-8,10-11H,9,19H2,(H,20,21)
InChIKeyTYKIKQYJBYCZDB-UHFFFAOYSA-N
XLogP3.89
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzo[f]benzimidazol-2-ylmethyl)aniline?
The IUPAC name of 4-(1H-benzo[f]benzimidazol-2-ylmethyl)aniline (CID 1084684) is 4-(1H-benzo[f]benzimidazol-2-ylmethyl)aniline.
What is the SMILES notation for 4-(1H-benzo[f]benzimidazol-2-ylmethyl)aniline?
The canonical SMILES for 4-(1H-benzo[f]benzimidazol-2-ylmethyl)aniline is Nc1ccc(Cc2nc3cc4ccccc4cc3[nH]2)cc1.
What is the InChIKey of 4-(1H-benzo[f]benzimidazol-2-ylmethyl)aniline?
The InChIKey is TYKIKQYJBYCZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c19-15-7-5-12(6-8-15)9-18-20-16-10-13-3-1-2-4-14(13)11-17(16)21-18/h1-8,10-11H,9,19H2,(H,20,21).
What are the key properties of 4-(1H-benzo[f]benzimidazol-2-ylmethyl)aniline?
4-(1H-benzo[f]benzimidazol-2-ylmethyl)aniline has a molecular weight of 273.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzo[f]benzimidazol-2-ylmethyl)aniline is sourced from PubChem (CID 1084684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).