4-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide

C15H22N4 — CID 65252771

IUPAC4-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCn1cnc2cc(C)c(C)cc21
InChIInChI=1S/C15H22N4/c1-10-7-12-13(8-11(10)2)19(9-18-12)6-5-15(3,4)14(16)17/h7-9H,5-6H2,1-4H3,(H3,16,17)
InChIKeyQCJHHAZVFSFOJP-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.01
Rot. Bonds4

About 4-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide

4-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide (PubChem CID 65252771) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide
PubChem CID65252771
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCn1cnc2cc(C)c(C)cc21
InChIInChI=1S/C15H22N4/c1-10-7-12-13(8-11(10)2)19(9-18-12)6-5-15(3,4)14(16)17/h7-9H,5-6H2,1-4H3,(H3,16,17)
InChIKeyQCJHHAZVFSFOJP-UHFFFAOYSA-N
XLogP3.01
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide (CID 65252771) is 4-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCn1cnc2cc(C)c(C)cc21.
What is the InChIKey of 4-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide?
The InChIKey is QCJHHAZVFSFOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-10-7-12-13(8-11(10)2)19(9-18-12)6-5-15(3,4)14(16)17/h7-9H,5-6H2,1-4H3,(H3,16,17).
What are the key properties of 4-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide?
4-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide has a molecular weight of 258.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide is sourced from PubChem (CID 65252771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).