N-(1-tert-butylbenzimidazol-5-yl)-4-chlorobenzamide

C18H18ClN3O — CID 948892

IUPACN-(1-tert-butylbenzimidazol-5-yl)-4-chlorobenzamide
SMILESCC(C)(C)n1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C18H18ClN3O/c1-18(2,3)22-11-20-15-10-14(8-9-16(15)22)21-17(23)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,21,23)
InChIKeySFUOVOSLKWNKNU-UHFFFAOYSA-N
MW327.82 g/mol
LogP4.70
Rot. Bonds2

About N-(1-tert-butylbenzimidazol-5-yl)-4-chlorobenzamide

N-(1-tert-butylbenzimidazol-5-yl)-4-chlorobenzamide (PubChem CID 948892) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is N-(1-tert-butylbenzimidazol-5-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(1-tert-butylbenzimidazol-5-yl)-4-chlorobenzamide
PubChem CID948892
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC NameN-(1-tert-butylbenzimidazol-5-yl)-4-chlorobenzamide
SMILESCC(C)(C)n1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C18H18ClN3O/c1-18(2,3)22-11-20-15-10-14(8-9-16(15)22)21-17(23)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,21,23)
InChIKeySFUOVOSLKWNKNU-UHFFFAOYSA-N
XLogP4.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.70
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)-4-chlorobenzamide?
The IUPAC name of N-(1-tert-butylbenzimidazol-5-yl)-4-chlorobenzamide (CID 948892) is N-(1-tert-butylbenzimidazol-5-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(1-tert-butylbenzimidazol-5-yl)-4-chlorobenzamide?
The canonical SMILES for N-(1-tert-butylbenzimidazol-5-yl)-4-chlorobenzamide is CC(C)(C)n1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of N-(1-tert-butylbenzimidazol-5-yl)-4-chlorobenzamide?
The InChIKey is SFUOVOSLKWNKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-18(2,3)22-11-20-15-10-14(8-9-16(15)22)21-17(23)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,21,23).
What are the key properties of N-(1-tert-butylbenzimidazol-5-yl)-4-chlorobenzamide?
N-(1-tert-butylbenzimidazol-5-yl)-4-chlorobenzamide has a molecular weight of 327.82 g/mol, XLogP of 4.70, 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)-4-chlorobenzamide is sourced from PubChem (CID 948892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).