N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide

C14H18N4O2 — CID 47131203

IUPACN-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCC(=O)NCCNC(=O)Cn1c(C)nc2ccccc21
InChIInChI=1S/C14H18N4O2/c1-10-17-12-5-3-4-6-13(12)18(10)9-14(20)16-8-7-15-11(2)19/h3-6H,7-9H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyXKLWWLOIQYRLKN-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.60
Rot. Bonds5

About N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide

N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide (PubChem CID 47131203) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
PubChem CID47131203
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCC(=O)NCCNC(=O)Cn1c(C)nc2ccccc21
InChIInChI=1S/C14H18N4O2/c1-10-17-12-5-3-4-6-13(12)18(10)9-14(20)16-8-7-15-11(2)19/h3-6H,7-9H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyXKLWWLOIQYRLKN-UHFFFAOYSA-N
XLogP0.60
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylbenzimidazol-1-yl)-N-(2-phenoxyethyl)acetamide
CID 51190450
2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 848727
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide
CID 17030211
2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392643
2-(2-methylbenzimidazol-1-yl)acetic acid
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N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]thiourea
CID 42631308
2-(2-methylbenzimidazol-1-yl)-N-(2-methylpropylcarbamoyl)acetamide
CID 7755635
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide
CID 9121387
N'-[2-(2-methylbenzimidazol-1-yl)acetyl]-2-(2-methylphenyl)acetohydrazide
CID 127044969
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17028901
N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755726

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide (CID 47131203) is N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide is CC(=O)NCCNC(=O)Cn1c(C)nc2ccccc21.
What is the InChIKey of N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide?
The InChIKey is XKLWWLOIQYRLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-17-12-5-3-4-6-13(12)18(10)9-14(20)16-8-7-15-11(2)19/h3-6H,7-9H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide?
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 47131203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).