4-(2-ethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide

C15H22N4 — CID 65252513

IUPAC4-(2-ethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCn1c(CC)nc2ccccc21
InChIInChI=1S/C15H22N4/c1-4-13-18-11-7-5-6-8-12(11)19(13)10-9-15(2,3)14(16)17/h5-8H,4,9-10H2,1-3H3,(H3,16,17)
InChIKeyXRUCASYIENRQDM-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.95
Rot. Bonds5

About 4-(2-ethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide

4-(2-ethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide (PubChem CID 65252513) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-(2-ethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(2-ethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide
PubChem CID65252513
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-(2-ethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCn1c(CC)nc2ccccc21
InChIInChI=1S/C15H22N4/c1-4-13-18-11-7-5-6-8-12(11)19(13)10-9-15(2,3)14(16)17/h5-8H,4,9-10H2,1-3H3,(H3,16,17)
InChIKeyXRUCASYIENRQDM-UHFFFAOYSA-N
XLogP2.95
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.95
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'}

Analyze 4-(2-ethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370
2,2-dimethyl-6-(2-methylbenzimidazol-1-yl)hexanimidamide
CID 106712254
2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol
CID 64809415
2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol
CID 64808784
methyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate
CID 79629566
1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole
CID 103710309
2,2-dimethyl-4-(2-methylbenzimidazol-1-yl)butanethioamide
CID 65248934
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine
CID 55244357
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
methyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate
CID 63106730

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(2-ethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide (CID 65252513) is 4-(2-ethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(2-ethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(2-ethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCn1c(CC)nc2ccccc21.
What is the InChIKey of 4-(2-ethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide?
The InChIKey is XRUCASYIENRQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-13-18-11-7-5-6-8-12(11)19(13)10-9-15(2,3)14(16)17/h5-8H,4,9-10H2,1-3H3,(H3,16,17).
What are the key properties of 4-(2-ethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide?
4-(2-ethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide has a molecular weight of 258.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide is sourced from PubChem (CID 65252513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).