N-(1-ethylbenzimidazol-2-yl)acetamide

C11H13N3O — CID 1111771

IUPACN-(1-ethylbenzimidazol-2-yl)acetamide
SMILESCCn1c(NC(C)=O)nc2ccccc21
InChIInChI=1S/C11H13N3O/c1-3-14-10-7-5-4-6-9(10)13-11(14)12-8(2)15/h4-7H,3H2,1-2H3,(H,12,13,15)
InChIKeyCTAOPYAHPUKQBH-UHFFFAOYSA-N
MW203.25 g/mol
LogP2.01
Rot. Bonds2

About N-(1-ethylbenzimidazol-2-yl)acetamide

N-(1-ethylbenzimidazol-2-yl)acetamide (PubChem CID 1111771) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-2-yl)acetamide
PubChem CID1111771
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-(1-ethylbenzimidazol-2-yl)acetamide
SMILESCCn1c(NC(C)=O)nc2ccccc21
InChIInChI=1S/C11H13N3O/c1-3-14-10-7-5-4-6-9(10)13-11(14)12-8(2)15/h4-7H,3H2,1-2H3,(H,12,13,15)
InChIKeyCTAOPYAHPUKQBH-UHFFFAOYSA-N
XLogP2.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-2-yl)acetamide?
The IUPAC name of N-(1-ethylbenzimidazol-2-yl)acetamide (CID 1111771) is N-(1-ethylbenzimidazol-2-yl)acetamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-2-yl)acetamide?
The canonical SMILES for N-(1-ethylbenzimidazol-2-yl)acetamide is CCn1c(NC(C)=O)nc2ccccc21.
What is the InChIKey of N-(1-ethylbenzimidazol-2-yl)acetamide?
The InChIKey is CTAOPYAHPUKQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-14-10-7-5-4-6-9(10)13-11(14)12-8(2)15/h4-7H,3H2,1-2H3,(H,12,13,15).
What are the key properties of N-(1-ethylbenzimidazol-2-yl)acetamide?
N-(1-ethylbenzimidazol-2-yl)acetamide has a molecular weight of 203.25 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-2-yl)acetamide is sourced from PubChem (CID 1111771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).