(2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide

C14H20N4O2 — CID 103794953

IUPAC(2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide
SMILESCCC[C@@H](N)C(=O)NC(C)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H20N4O2/c1-3-4-10(15)13(19)16-8(2)9-5-6-11-12(7-9)18-14(20)17-11/h5-8,10H,3-4,15H2,1-2H3,(H,16,19)(H2,17,18,20)/t8?,10-/m1/s1
InChIKeyPSSNYWNAKBTYPP-LHIURRSHSA-N
MW276.34 g/mol
LogP1.16
Rot. Bonds5

About (2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide

(2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide (PubChem CID 103794953) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide
PubChem CID103794953
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide
SMILESCCC[C@@H](N)C(=O)NC(C)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H20N4O2/c1-3-4-10(15)13(19)16-8(2)9-5-6-11-12(7-9)18-14(20)17-11/h5-8,10H,3-4,15H2,1-2H3,(H,16,19)(H2,17,18,20)/t8?,10-/m1/s1
InChIKeyPSSNYWNAKBTYPP-LHIURRSHSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 103794045
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 61249825
2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride
CID 119269406
(2R)-2-amino-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 103794630
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 107569368
(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
CID 93467019
2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pentanamide
CID 43708555
2-(azetidin-3-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 116675039
(2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide
CID 103793979
2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 114327723
(2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 107570248
1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 94799266

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide?
The IUPAC name of (2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide (CID 103794953) is (2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide is CCC[C@@H](N)C(=O)NC(C)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of (2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide?
The InChIKey is PSSNYWNAKBTYPP-LHIURRSHSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-4-10(15)13(19)16-8(2)9-5-6-11-12(7-9)18-14(20)17-11/h5-8,10H,3-4,15H2,1-2H3,(H,16,19)(H2,17,18,20)/t8?,10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide?
(2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide has a molecular weight of 276.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide is sourced from PubChem (CID 103794953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).