N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide

C14H19N3O — CID 17028648

IUPACN-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
SMILESCCNC(=O)Cn1c(C(C)C)nc2ccccc21
InChIInChI=1S/C14H19N3O/c1-4-15-13(18)9-17-12-8-6-5-7-11(12)16-14(17)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,18)
InChIKeyOOGKFLNBODCLGZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.30
Rot. Bonds4

About N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide

N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide (PubChem CID 17028648) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
PubChem CID17028648
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
SMILESCCNC(=O)Cn1c(C(C)C)nc2ccccc21
InChIInChI=1S/C14H19N3O/c1-4-15-13(18)9-17-12-8-6-5-7-11(12)16-14(17)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,18)
InChIKeyOOGKFLNBODCLGZ-UHFFFAOYSA-N
XLogP2.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028642
N-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17028901
N-ethyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032718
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17029919
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 136662246
2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 43667741
2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17033254
2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-propylacetamide
CID 17030013
2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N-ethylacetamide
CID 113316294
2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethylacetamide
CID 79292094

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide (CID 17028648) is N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide is CCNC(=O)Cn1c(C(C)C)nc2ccccc21.
What is the InChIKey of N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide?
The InChIKey is OOGKFLNBODCLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-15-13(18)9-17-12-8-6-5-7-11(12)16-14(17)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,18).
What are the key properties of N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide?
N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide has a molecular weight of 245.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 17028648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).