3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide

C14H20N4O2 — CID 106344304

IUPAC3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide
SMILESCC(NC(C(N)=O)C(C)C)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H20N4O2/c1-7(2)12(13(15)19)16-8(3)9-4-5-10-11(6-9)18-14(20)17-10/h4-8,12,16H,1-3H3,(H2,15,19)(H2,17,18,20)
InChIKeyZYRJHOLHRUHAHR-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.02
Rot. Bonds5

About 3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide

3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide (PubChem CID 106344304) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide
PubChem CID106344304
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide
SMILESCC(NC(C(N)=O)C(C)C)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H20N4O2/c1-7(2)12(13(15)19)16-8(3)9-4-5-10-11(6-9)18-14(20)17-10/h4-8,12,16H,1-3H3,(H2,15,19)(H2,17,18,20)
InChIKeyZYRJHOLHRUHAHR-UHFFFAOYSA-N
XLogP1.02
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43204325
5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43371810
1-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 60867027
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
CID 116843911
5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 43186831
5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 62090338
2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 114327723
4-[(dimethylamino)methyl]-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 95289715
(2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide
CID 103794953
4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
CID 82118893
methyl (2S)-2-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methylbutanoate
CID 43452132

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide?
The IUPAC name of 3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide (CID 106344304) is 3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide.
What is the SMILES notation for 3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide?
The canonical SMILES for 3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide is CC(NC(C(N)=O)C(C)C)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide?
The InChIKey is ZYRJHOLHRUHAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-7(2)12(13(15)19)16-8(3)9-4-5-10-11(6-9)18-14(20)17-10/h4-8,12,16H,1-3H3,(H2,15,19)(H2,17,18,20).
What are the key properties of 3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide?
3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide has a molecular weight of 276.34 g/mol, XLogP of 1.02, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide is sourced from PubChem (CID 106344304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).