N-tert-butyl-3-(5,6-dimethylbenzimidazol-1-yl)propanamide

C16H23N3O — CID 856583

IUPACN-tert-butyl-3-(5,6-dimethylbenzimidazol-1-yl)propanamide
SMILESCc1cc2ncn(CCC(=O)NC(C)(C)C)c2cc1C
InChIInChI=1S/C16H23N3O/c1-11-8-13-14(9-12(11)2)19(10-17-13)7-6-15(20)18-16(3,4)5/h8-10H,6-7H2,1-5H3,(H,18,20)
InChIKeyVHJUVJZGDOREBR-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.96
Rot. Bonds3

About N-tert-butyl-3-(5,6-dimethylbenzimidazol-1-yl)propanamide

N-tert-butyl-3-(5,6-dimethylbenzimidazol-1-yl)propanamide (PubChem CID 856583) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-tert-butyl-3-(5,6-dimethylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(5,6-dimethylbenzimidazol-1-yl)propanamide
PubChem CID856583
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-tert-butyl-3-(5,6-dimethylbenzimidazol-1-yl)propanamide
SMILESCc1cc2ncn(CCC(=O)NC(C)(C)C)c2cc1C
InChIInChI=1S/C16H23N3O/c1-11-8-13-14(9-12(11)2)19(10-17-13)7-6-15(20)18-16(3,4)5/h8-10H,6-7H2,1-5H3,(H,18,20)
InChIKeyVHJUVJZGDOREBR-UHFFFAOYSA-N
XLogP2.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(5,6-dimethylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-tert-butyl-3-(5,6-dimethylbenzimidazol-1-yl)propanamide (CID 856583) is N-tert-butyl-3-(5,6-dimethylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-tert-butyl-3-(5,6-dimethylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-tert-butyl-3-(5,6-dimethylbenzimidazol-1-yl)propanamide is Cc1cc2ncn(CCC(=O)NC(C)(C)C)c2cc1C.
What is the InChIKey of N-tert-butyl-3-(5,6-dimethylbenzimidazol-1-yl)propanamide?
The InChIKey is VHJUVJZGDOREBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-8-13-14(9-12(11)2)19(10-17-13)7-6-15(20)18-16(3,4)5/h8-10H,6-7H2,1-5H3,(H,18,20).
What are the key properties of N-tert-butyl-3-(5,6-dimethylbenzimidazol-1-yl)propanamide?
N-tert-butyl-3-(5,6-dimethylbenzimidazol-1-yl)propanamide has a molecular weight of 273.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(5,6-dimethylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 856583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).