3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide

C14H18N4O2 — CID 43229201

IUPAC3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
SMILESCC(=O)NCCC(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H18N4O2/c1-10(19)15-9-7-14(20)16-8-6-13-17-11-4-2-3-5-12(11)18-13/h2-5H,6-9H2,1H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyNRNBEUOFNLSDRE-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.75
Rot. Bonds6

About 3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide

3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide (PubChem CID 43229201) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
PubChem CID43229201
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
SMILESCC(=O)NCCC(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H18N4O2/c1-10(19)15-9-7-14(20)16-8-6-13-17-11-4-2-3-5-12(11)18-13/h2-5H,6-9H2,1H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyNRNBEUOFNLSDRE-UHFFFAOYSA-N
XLogP0.75
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 37218639
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 17417855
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 77090072
4-(acetamidomethyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 17394585
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 19167078
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide (CID 43229201) is 3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide is CC(=O)NCCC(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of 3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide?
The InChIKey is NRNBEUOFNLSDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(19)15-9-7-14(20)16-8-6-13-17-11-4-2-3-5-12(11)18-13/h2-5H,6-9H2,1H3,(H,15,19)(H,16,20)(H,17,18).
What are the key properties of 3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide?
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide has a molecular weight of 274.32 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 43229201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).