2-amino-5-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide

C13H18N4O3 — CID 81082977

IUPAC2-amino-5-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide
SMILESCOCCCC(N)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H18N4O3/c1-20-6-2-3-9(14)12(18)15-8-4-5-10-11(7-8)17-13(19)16-10/h4-5,7,9H,2-3,6,14H2,1H3,(H,15,18)(H2,16,17,19)
InChIKeyWUIWVNPDOCHDFO-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.55
Rot. Bonds6

About 2-amino-5-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide

2-amino-5-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide (PubChem CID 81082977) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide
PubChem CID81082977
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name2-amino-5-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide
SMILESCOCCCC(N)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H18N4O3/c1-20-6-2-3-9(14)12(18)15-8-4-5-10-11(7-8)17-13(19)16-10/h4-5,7,9H,2-3,6,14H2,1H3,(H,15,18)(H2,16,17,19)
InChIKeyWUIWVNPDOCHDFO-UHFFFAOYSA-N
XLogP0.55
TPSA113.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 43620690
methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate
CID 81071019
2-amino-5-methoxy-N-naphthalen-2-ylpentanamide
CID 81083067
methyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate
CID 81089380
2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide
CID 81086454
2-amino-N-[4-(dimethylamino)phenyl]-5-methoxypentanamide
CID 81082598
diethyl 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]propanedioate
CID 121329545
3-amino-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 62670322
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methoxypentanamide
CID 81086085
2-amino-N-(3-bromo-4-nitrophenyl)-5-methoxypentanamide
CID 82864395
2-amino-N-(4-chloro-3-nitrophenyl)-5-methoxypentanamide
CID 81082778
2-amino-5-methoxy-N-(3-nitrophenyl)pentanamide
CID 81082319

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide (CID 81082977) is 2-amino-5-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide is COCCCC(N)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-amino-5-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide?
The InChIKey is WUIWVNPDOCHDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-20-6-2-3-9(14)12(18)15-8-4-5-10-11(7-8)17-13(19)16-10/h4-5,7,9H,2-3,6,14H2,1H3,(H,15,18)(H2,16,17,19).
What are the key properties of 2-amino-5-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide?
2-amino-5-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide has a molecular weight of 278.31 g/mol, XLogP of 0.55, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide is sourced from PubChem (CID 81082977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).