4-(1,6-dimethylbenzimidazol-2-yl)aniline

C15H15N3 — CID 84628854

IUPAC4-(1,6-dimethylbenzimidazol-2-yl)aniline
SMILESCc1ccc2nc(-c3ccc(N)cc3)n(C)c2c1
InChIInChI=1S/C15H15N3/c1-10-3-8-13-14(9-10)18(2)15(17-13)11-4-6-12(16)7-5-11/h3-9H,16H2,1-2H3
InChIKeyYNHRPMNIJPLQAD-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.13
Rot. Bonds1

About 4-(1,6-dimethylbenzimidazol-2-yl)aniline

4-(1,6-dimethylbenzimidazol-2-yl)aniline (PubChem CID 84628854) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-(1,6-dimethylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name4-(1,6-dimethylbenzimidazol-2-yl)aniline
PubChem CID84628854
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name4-(1,6-dimethylbenzimidazol-2-yl)aniline
SMILESCc1ccc2nc(-c3ccc(N)cc3)n(C)c2c1
InChIInChI=1S/C15H15N3/c1-10-3-8-13-14(9-10)18(2)15(17-13)11-4-6-12(16)7-5-11/h3-9H,16H2,1-2H3
InChIKeyYNHRPMNIJPLQAD-UHFFFAOYSA-N
XLogP3.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,6-dimethylbenzimidazol-2-yl)aniline?
The IUPAC name of 4-(1,6-dimethylbenzimidazol-2-yl)aniline (CID 84628854) is 4-(1,6-dimethylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 4-(1,6-dimethylbenzimidazol-2-yl)aniline?
The canonical SMILES for 4-(1,6-dimethylbenzimidazol-2-yl)aniline is Cc1ccc2nc(-c3ccc(N)cc3)n(C)c2c1.
What is the InChIKey of 4-(1,6-dimethylbenzimidazol-2-yl)aniline?
The InChIKey is YNHRPMNIJPLQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-10-3-8-13-14(9-10)18(2)15(17-13)11-4-6-12(16)7-5-11/h3-9H,16H2,1-2H3.
What are the key properties of 4-(1,6-dimethylbenzimidazol-2-yl)aniline?
4-(1,6-dimethylbenzimidazol-2-yl)aniline has a molecular weight of 237.31 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,6-dimethylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 84628854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).