N-(1-tert-butylbenzimidazol-5-yl)benzamide

C18H19N3O — CID 711834

IUPACN-(1-tert-butylbenzimidazol-5-yl)benzamide
SMILESCC(C)(C)n1cnc2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C18H19N3O/c1-18(2,3)21-12-19-15-11-14(9-10-16(15)21)20-17(22)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,22)
InChIKeyHFHQDLGZKRIPTP-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.04
Rot. Bonds2

About N-(1-tert-butylbenzimidazol-5-yl)benzamide

N-(1-tert-butylbenzimidazol-5-yl)benzamide (PubChem CID 711834) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(1-tert-butylbenzimidazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(1-tert-butylbenzimidazol-5-yl)benzamide
PubChem CID711834
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(1-tert-butylbenzimidazol-5-yl)benzamide
SMILESCC(C)(C)n1cnc2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C18H19N3O/c1-18(2,3)21-12-19-15-11-14(9-10-16(15)21)20-17(22)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,22)
InChIKeyHFHQDLGZKRIPTP-UHFFFAOYSA-N
XLogP4.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylbenzimidazol-5-yl)benzamide?
The IUPAC name of N-(1-tert-butylbenzimidazol-5-yl)benzamide (CID 711834) is N-(1-tert-butylbenzimidazol-5-yl)benzamide.
What is the SMILES notation for N-(1-tert-butylbenzimidazol-5-yl)benzamide?
The canonical SMILES for N-(1-tert-butylbenzimidazol-5-yl)benzamide is CC(C)(C)n1cnc2cc(NC(=O)c3ccccc3)ccc21.
What is the InChIKey of N-(1-tert-butylbenzimidazol-5-yl)benzamide?
The InChIKey is HFHQDLGZKRIPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-18(2,3)21-12-19-15-11-14(9-10-16(15)21)20-17(22)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,22).
What are the key properties of N-(1-tert-butylbenzimidazol-5-yl)benzamide?
N-(1-tert-butylbenzimidazol-5-yl)benzamide has a molecular weight of 293.37 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylbenzimidazol-5-yl)benzamide is sourced from PubChem (CID 711834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).