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

C13H18N4O2 — CID 62935017

IUPAC5-amino-3-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide
SMILESCC(CC(N)=O)CC(N)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H18N4O2/c1-7(5-12(15)18)4-9(14)8-2-3-10-11(6-8)17-13(19)16-10/h2-3,6-7,9H,4-5,14H2,1H3,(H2,15,18)(H2,16,17,19)
InChIKeyJULNPNFAANURKI-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.76
Rot. Bonds5

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

5-amino-3-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide (PubChem CID 62935017) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-amino-3-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide.

Molecular Properties

Compound Name5-amino-3-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide
PubChem CID62935017
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-amino-3-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide
SMILESCC(CC(N)=O)CC(N)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H18N4O2/c1-7(5-12(15)18)4-9(14)8-2-3-10-11(6-8)17-13(19)16-10/h2-3,6-7,9H,4-5,14H2,1H3,(H2,15,18)(H2,16,17,19)
InChIKeyJULNPNFAANURKI-UHFFFAOYSA-N
XLogP0.76
TPSA117.76 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide
CID 62933997
5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 43186846
5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one
CID 55260322
4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 65298571
5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 83530993
5-amino-3-methyl-5-(4-methylphenyl)pentanamide
CID 62934157
5-amino-5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-methylpentanamide
CID 62941476
5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
CID 62933664
4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
CID 82118893
5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 43186831
6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid
CID 43446952
5-amino-5-(3-bromo-4-methoxyphenyl)-3-methylpentanamide
CID 62941286

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide?
The IUPAC name of 5-amino-3-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide (CID 62935017) is 5-amino-3-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide.
What is the SMILES notation for 5-amino-3-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide?
The canonical SMILES for 5-amino-3-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide is CC(CC(N)=O)CC(N)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-amino-3-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide?
The InChIKey is JULNPNFAANURKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-7(5-12(15)18)4-9(14)8-2-3-10-11(6-8)17-13(19)16-10/h2-3,6-7,9H,4-5,14H2,1H3,(H2,15,18)(H2,16,17,19).
What are the key properties of 5-amino-3-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide?
5-amino-3-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide has a molecular weight of 262.31 g/mol, XLogP of 0.76, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide is sourced from PubChem (CID 62935017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).