N-(1-ethylbenzimidazol-5-yl)-4-methylbenzamide

C17H17N3O — CID 975960

IUPACN-(1-ethylbenzimidazol-5-yl)-4-methylbenzamide
SMILESCCn1cnc2cc(NC(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C17H17N3O/c1-3-20-11-18-15-10-14(8-9-16(15)20)19-17(21)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyLSSRZJSXDQKXCH-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.62
Rot. Bonds3

About N-(1-ethylbenzimidazol-5-yl)-4-methylbenzamide

N-(1-ethylbenzimidazol-5-yl)-4-methylbenzamide (PubChem CID 975960) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-5-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-5-yl)-4-methylbenzamide
PubChem CID975960
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(1-ethylbenzimidazol-5-yl)-4-methylbenzamide
SMILESCCn1cnc2cc(NC(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C17H17N3O/c1-3-20-11-18-15-10-14(8-9-16(15)20)19-17(21)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyLSSRZJSXDQKXCH-UHFFFAOYSA-N
XLogP3.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-5-yl)-4-methylbenzamide?
The IUPAC name of N-(1-ethylbenzimidazol-5-yl)-4-methylbenzamide (CID 975960) is N-(1-ethylbenzimidazol-5-yl)-4-methylbenzamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-5-yl)-4-methylbenzamide?
The canonical SMILES for N-(1-ethylbenzimidazol-5-yl)-4-methylbenzamide is CCn1cnc2cc(NC(=O)c3ccc(C)cc3)ccc21.
What is the InChIKey of N-(1-ethylbenzimidazol-5-yl)-4-methylbenzamide?
The InChIKey is LSSRZJSXDQKXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-20-11-18-15-10-14(8-9-16(15)20)19-17(21)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3,(H,19,21).
What are the key properties of N-(1-ethylbenzimidazol-5-yl)-4-methylbenzamide?
N-(1-ethylbenzimidazol-5-yl)-4-methylbenzamide has a molecular weight of 279.34 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-5-yl)-4-methylbenzamide is sourced from PubChem (CID 975960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).