5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one

C12H13N5O2 — CID 34282424

IUPAC5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1noc([C@@H](C)Nc2ccc3[nH]c(=O)[nH]c3c2)n1
InChIInChI=1S/C12H13N5O2/c1-6(11-14-7(2)17-19-11)13-8-3-4-9-10(5-8)16-12(18)15-9/h3-6,13H,1-2H3,(H2,15,16,18)/t6-/m1/s1
InChIKeyGHGNDLSSCRGMAF-ZCFIWIBFSA-N
MW259.27 g/mol
LogP1.72
Rot. Bonds3

About 5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one

5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 34282424) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID34282424
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1noc([C@@H](C)Nc2ccc3[nH]c(=O)[nH]c3c2)n1
InChIInChI=1S/C12H13N5O2/c1-6(11-14-7(2)17-19-11)13-8-3-4-9-10(5-8)16-12(18)15-9/h3-6,13H,1-2H3,(H2,15,16,18)/t6-/m1/s1
InChIKeyGHGNDLSSCRGMAF-ZCFIWIBFSA-N
XLogP1.72
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one with MolForge

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Related Compounds

N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 75420030
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
CID 47027516
5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one
CID 71991004
N-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 34284551
5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one
CID 43201877
4-ethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 95337872
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 34282281
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 26700942
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide
CID 26017452
3-methyl-N-[1-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 166382841
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-prop-2-ynylpropanamide
CID 47157501
2-methyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-5-amine
CID 91642725

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one (CID 34282424) is 5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one is Cc1noc([C@@H](C)Nc2ccc3[nH]c(=O)[nH]c3c2)n1.
What is the InChIKey of 5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is GHGNDLSSCRGMAF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-6(11-14-7(2)17-19-11)13-8-3-4-9-10(5-8)16-12(18)15-9/h3-6,13H,1-2H3,(H2,15,16,18)/t6-/m1/s1.
What are the key properties of 5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one?
5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 259.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 34282424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).