5-(2,3-dihydroxypropylamino)-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-2-one

C14H20N4O3 — CID 168594960

IUPAC5-(2,3-dihydroxypropylamino)-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(NCC(O)CO)c(N3CCCC3)cc2[nH]1
InChIInChI=1S/C14H20N4O3/c19-8-9(20)7-15-12-5-10-11(17-14(21)16-10)6-13(12)18-3-1-2-4-18/h5-6,9,15,19-20H,1-4,7-8H2,(H2,16,17,21)
InChIKeyNVKKDALMFUZYNH-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.22
Rot. Bonds5

About 5-(2,3-dihydroxypropylamino)-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-2-one

5-(2,3-dihydroxypropylamino)-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-2-one (PubChem CID 168594960) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-(2,3-dihydroxypropylamino)-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2,3-dihydroxypropylamino)-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-2-one
PubChem CID168594960
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name5-(2,3-dihydroxypropylamino)-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(NCC(O)CO)c(N3CCCC3)cc2[nH]1
InChIInChI=1S/C14H20N4O3/c19-8-9(20)7-15-12-5-10-11(17-14(21)16-10)6-13(12)18-3-1-2-4-18/h5-6,9,15,19-20H,1-4,7-8H2,(H2,16,17,21)
InChIKeyNVKKDALMFUZYNH-UHFFFAOYSA-N
XLogP0.22
TPSA104.38 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-2-pyrrolidin-1-ylanilino)propane-1,2-diol
CID 168596364
3-(4-methylsulfonyl-3-piperidin-1-ylanilino)propane-1,2-diol
CID 168594715
3-acetamido-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 131914762
N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4-piperidin-1-ylbenzamide
CID 131897591
3-methyl-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-2-phenylbutanamide
CID 131947738
4-[4-(azepan-1-yl)-3-[(3-chloro-2-hydroxypropyl)amino]phenyl]-2H-phthalazin-1-one
CID 168638670
1-[4-[4-chloro-2-(2,3-dihydroxypropylamino)phenyl]piperazin-1-yl]propan-1-one
CID 168596747
1-[4-[2-(2,3-dihydroxypropylamino)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 168594703
2-(aminomethyl)-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide
CID 131929514
[3-(2,3-dihydroxypropylamino)-5-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 168596983
methyl 4-(4-benzoylpiperazin-1-yl)-3-(2,3-dihydroxypropylamino)benzoate
CID 168595587
6-(2,3-dihydroxypropylamino)-5-methyl-1H-pyrimidine-2,4-dione
CID 45093400

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroxypropylamino)-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2,3-dihydroxypropylamino)-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-2-one (CID 168594960) is 5-(2,3-dihydroxypropylamino)-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2,3-dihydroxypropylamino)-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2,3-dihydroxypropylamino)-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(NCC(O)CO)c(N3CCCC3)cc2[nH]1.
What is the InChIKey of 5-(2,3-dihydroxypropylamino)-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is NVKKDALMFUZYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-8-9(20)7-15-12-5-10-11(17-14(21)16-10)6-13(12)18-3-1-2-4-18/h5-6,9,15,19-20H,1-4,7-8H2,(H2,16,17,21).
What are the key properties of 5-(2,3-dihydroxypropylamino)-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-2-one?
5-(2,3-dihydroxypropylamino)-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 292.34 g/mol, XLogP of 0.22, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroxypropylamino)-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 168594960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).