3-[3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one

C19H22N4O4 — CID 135089647

IUPAC3-[3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one
SMILESCc1cc(C[C@@H]2CN(C(=O)CCn3c(=O)[nH]c4ccccc43)C[C@@H]2O)on1
InChIInChI=1S/C19H22N4O4/c1-12-8-14(27-21-12)9-13-10-22(11-17(13)24)18(25)6-7-23-16-5-3-2-4-15(16)20-19(23)26/h2-5,8,13,17,24H,6-7,9-11H2,1H3,(H,20,26)/t13-,17+/m1/s1
InChIKeyMXCUCXUROAOZNF-DYVFJYSZSA-N
MW370.41 g/mol
LogP1.08
Rot. Bonds5

About 3-[3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one

3-[3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one (PubChem CID 135089647) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-[3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one
PubChem CID135089647
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name3-[3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one
SMILESCc1cc(C[C@@H]2CN(C(=O)CCn3c(=O)[nH]c4ccccc43)C[C@@H]2O)on1
InChIInChI=1S/C19H22N4O4/c1-12-8-14(27-21-12)9-13-10-22(11-17(13)24)18(25)6-7-23-16-5-3-2-4-15(16)20-19(23)26/h2-5,8,13,17,24H,6-7,9-11H2,1H3,(H,20,26)/t13-,17+/m1/s1
InChIKeyMXCUCXUROAOZNF-DYVFJYSZSA-N
XLogP1.08
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-fluorophenyl)-4-{cis-3-hydroxy-4-[(3-methyl-5-isoxazolyl)methyl]-1-pyrrolidinyl}-4-oxobutanamide
CID 135088426
1-(4-fluorophenyl)-3-({rel-(3R,4R)-3-hydroxy-4-[(3-methyl-5-isoxazolyl)methyl]-1-pyrrolidinyl}carbonyl)-4-methyl-2(1H)-pyridinone
CID 172672404
N,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68888277
N,2-dicyclohexyl-2-[2-(3-methyl-1,2-oxazol-5-yl)-1,3-dihydrobenzimidazol-2-yl]-N-phenylacetamide
CID 69020172
(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 89702007
4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 123606649
1-(trans-4-hydroxycyclohexyl)-N-methyl-N-[(3-methylisoxazol-5-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide
CID 70710017
1-(trans-4-hydroxycyclohexyl)-N-[(3-methylisoxazol-5-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide
CID 70715167
2-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 71998545
1-{2-[2-(5-isopropylisoxazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl}-1,3-dihydro-2H-benzimidazol-2-one
CID 72870078
N-methyl-N'-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N-(4,5,6,7-tetrahydro-1,2-benzisoxazol-3-ylmethyl)urea
CID 72889321
N-{(3R*,4S*)-4-[(3-methylisoxazol-5-yl)methyl]tetrahydrofuran-3-yl}-3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propanamide
CID 72903115

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one (CID 135089647) is 3-[3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one is Cc1cc(C[C@@H]2CN(C(=O)CCn3c(=O)[nH]c4ccccc43)C[C@@H]2O)on1.
What is the InChIKey of 3-[3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one?
The InChIKey is MXCUCXUROAOZNF-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-12-8-14(27-21-12)9-13-10-22(11-17(13)24)18(25)6-7-23-16-5-3-2-4-15(16)20-19(23)26/h2-5,8,13,17,24H,6-7,9-11H2,1H3,(H,20,26)/t13-,17+/m1/s1.
What are the key properties of 3-[3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one?
3-[3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one has a molecular weight of 370.41 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 135089647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).