2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-amine

C15H16N4 — CID 763219

IUPAC2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-amine
SMILESCN(C)c1ccc(-c2nc3ccc(N)cc3[nH]2)cc1
InChIInChI=1S/C15H16N4/c1-19(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)18-15/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyMYBHZNWJSKGXNY-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.88
Rot. Bonds2

About 2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-amine

2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-amine (PubChem CID 763219) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-amine
PubChem CID763219
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-amine
SMILESCN(C)c1ccc(-c2nc3ccc(N)cc3[nH]2)cc1
InChIInChI=1S/C15H16N4/c1-19(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)18-15/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyMYBHZNWJSKGXNY-UHFFFAOYSA-N
XLogP2.88
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-amine (CID 763219) is 2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-amine is CN(C)c1ccc(-c2nc3ccc(N)cc3[nH]2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-amine?
The InChIKey is MYBHZNWJSKGXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-19(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)18-15/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-amine?
2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-amine has a molecular weight of 252.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 763219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).