[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-(2-ethoxy-1,3-oxazol-4-yl)methanone

C18H20N4O3 — CID 139007662

IUPAC[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-(2-ethoxy-1,3-oxazol-4-yl)methanone
SMILESCCOc1nc(C(=O)N2CCCC2Cn2cnc3ccccc32)co1
InChIInChI=1S/C18H20N4O3/c1-2-24-18-20-15(11-25-18)17(23)22-9-5-6-13(22)10-21-12-19-14-7-3-4-8-16(14)21/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3
InChIKeyYSFDHZWMTISJLT-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.73
Rot. Bonds5

About [2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-(2-ethoxy-1,3-oxazol-4-yl)methanone

[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-(2-ethoxy-1,3-oxazol-4-yl)methanone (PubChem CID 139007662) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-(2-ethoxy-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-(2-ethoxy-1,3-oxazol-4-yl)methanone
PubChem CID139007662
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-(2-ethoxy-1,3-oxazol-4-yl)methanone
SMILESCCOc1nc(C(=O)N2CCCC2Cn2cnc3ccccc32)co1
InChIInChI=1S/C18H20N4O3/c1-2-24-18-20-15(11-25-18)17(23)22-9-5-6-13(22)10-21-12-19-14-7-3-4-8-16(14)21/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3
InChIKeyYSFDHZWMTISJLT-UHFFFAOYSA-N
XLogP2.73
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea
CID 138995721
[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 25275406
ethyl 2-[4-(benzimidazol-1-ylmethyl)cyclohexyl]-1,3-oxazole-4-carboxylate
CID 59468703
5-[3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 71909231
[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone
CID 95225726
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2476351
[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylimidazol-4-yl)methanone
CID 138989777
2-(benzimidazol-1-ylmethyl)-N-[(2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 154842997
3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-5-tert-butyl-1,2,4-oxadiazole
CID 139003246
3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide
CID 126827644
(2-ethylpiperidin-1-yl)-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 45169442
[4-(benzimidazol-1-ylmethyl)piperidin-1-yl]-(3-methoxyphenyl)methanone;oxalic acid
CID 71780826

Frequently Asked Questions

What is the IUPAC name of [2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-(2-ethoxy-1,3-oxazol-4-yl)methanone?
The IUPAC name of [2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-(2-ethoxy-1,3-oxazol-4-yl)methanone (CID 139007662) is [2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-(2-ethoxy-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-(2-ethoxy-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-(2-ethoxy-1,3-oxazol-4-yl)methanone is CCOc1nc(C(=O)N2CCCC2Cn2cnc3ccccc32)co1.
What is the InChIKey of [2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-(2-ethoxy-1,3-oxazol-4-yl)methanone?
The InChIKey is YSFDHZWMTISJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-2-24-18-20-15(11-25-18)17(23)22-9-5-6-13(22)10-21-12-19-14-7-3-4-8-16(14)21/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3.
What are the key properties of [2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-(2-ethoxy-1,3-oxazol-4-yl)methanone?
[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-(2-ethoxy-1,3-oxazol-4-yl)methanone has a molecular weight of 340.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-(2-ethoxy-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 139007662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).