5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one

C21H24N4O3 — CID 154948654

IUPAC5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)nc(C1CCC(=O)N1)n2[C@@H]1CC[C@@H](O)C1
InChIInChI=1S/C21H24N4O3/c1-11-20(12(2)28-24-11)13-3-7-18-17(9-13)23-21(16-6-8-19(27)22-16)25(18)14-4-5-15(26)10-14/h3,7,9,14-16,26H,4-6,8,10H2,1-2H3,(H,22,27)/t14-,15-,16?/m1/s1
InChIKeyXDCULYVDVPFORI-YGFGXBMJSA-N
MW380.45 g/mol
LogP3.35
Rot. Bonds3

About 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one

5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 154948654) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID154948654
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)nc(C1CCC(=O)N1)n2[C@@H]1CC[C@@H](O)C1
InChIInChI=1S/C21H24N4O3/c1-11-20(12(2)28-24-11)13-3-7-18-17(9-13)23-21(16-6-8-19(27)22-16)25(18)14-4-5-15(26)10-14/h3,7,9,14-16,26H,4-6,8,10H2,1-2H3,(H,22,27)/t14-,15-,16?/m1/s1
InChIKeyXDCULYVDVPFORI-YGFGXBMJSA-N
XLogP3.35
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxycyclobutyl)benzimidazol-2-yl]piperidin-2-one
CID 134457482
5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-methoxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 154948466
(5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-1,1-dioxothian-3-yl]benzimidazol-2-yl]pyrrolidin-2-one
CID 148927954
(5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-oxothiolan-3-yl)benzimidazol-2-yl]pyrrolidin-2-one
CID 134457269
(5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-ethyl-4-hydroxycyclohexyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 134457705
(5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(thian-3-yl)benzimidazol-2-yl]pyrrolidin-2-one
CID 155065885
methyl 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-6-oxopiperidin-2-yl]benzimidazol-1-yl]cyclohexane-1-carboxylate
CID 134457599
(6S)-1-(3,4-difluorophenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxycyclobutyl)benzimidazol-2-yl]piperidin-2-one;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-hydroxycyclobutyl)benzimidazol-2-yl]piperidin-2-one
CID 162058343
6-[1-(3,3-difluorocyclobutyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one
CID 154948653
[(1R,3R)-3-[2-[(2S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]cyclopentyl] acetate;[(1R,3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-5-oxopyrrolidin-2-yl]benzimidazol-1-yl]cyclopentyl] acetate
CID 161286642
(6R)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one
CID 134457730
(5S)-5-[1-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]pyrrolidin-2-one
CID 134457320

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 154948654) is 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one is Cc1noc(C)c1-c1ccc2c(c1)nc(C1CCC(=O)N1)n2[C@@H]1CC[C@@H](O)C1.
What is the InChIKey of 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is XDCULYVDVPFORI-YGFGXBMJSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-11-20(12(2)28-24-11)13-3-7-18-17(9-13)23-21(16-6-8-19(27)22-16)25(18)14-4-5-15(26)10-14/h3,7,9,14-16,26H,4-6,8,10H2,1-2H3,(H,22,27)/t14-,15-,16?/m1/s1.
What are the key properties of 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one?
5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 380.45 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 154948654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).