3-[4-fluoro-3-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one

C22H25FN4O3 — CID 154835609

IUPAC3-[4-fluoro-3-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
SMILESCn1c(C2CCCN2C(=O)c2cc(N3CCOC3=O)ccc2F)nc2c1CCCC2
InChIInChI=1S/C22H25FN4O3/c1-25-18-6-3-2-5-17(18)24-20(25)19-7-4-10-27(19)21(28)15-13-14(8-9-16(15)23)26-11-12-30-22(26)29/h8-9,13,19H,2-7,10-12H2,1H3
InChIKeyLGIBILSLYMXVQV-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.37
Rot. Bonds3

About 3-[4-fluoro-3-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one

3-[4-fluoro-3-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 154835609) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is 3-[4-fluoro-3-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-fluoro-3-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID154835609
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC Name3-[4-fluoro-3-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
SMILESCn1c(C2CCCN2C(=O)c2cc(N3CCOC3=O)ccc2F)nc2c1CCCC2
InChIInChI=1S/C22H25FN4O3/c1-25-18-6-3-2-5-17(18)24-20(25)19-7-4-10-27(19)21(28)15-13-14(8-9-16(15)23)26-11-12-30-22(26)29/h8-9,13,19H,2-7,10-12H2,1H3
InChIKeyLGIBILSLYMXVQV-UHFFFAOYSA-N
XLogP3.37
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-fluoro-3-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one (CID 154835609) is 3-[4-fluoro-3-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-fluoro-3-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-fluoro-3-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one is Cn1c(C2CCCN2C(=O)c2cc(N3CCOC3=O)ccc2F)nc2c1CCCC2.
What is the InChIKey of 3-[4-fluoro-3-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is LGIBILSLYMXVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c1-25-18-6-3-2-5-17(18)24-20(25)19-7-4-10-27(19)21(28)15-13-14(8-9-16(15)23)26-11-12-30-22(26)29/h8-9,13,19H,2-7,10-12H2,1H3.
What are the key properties of 3-[4-fluoro-3-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-fluoro-3-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 412.47 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 154835609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).