4-[2-(cyclopropylmethyl)-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine

C27H24FN5O2 — CID 134371919

IUPAC4-[2-(cyclopropylmethyl)-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
SMILESFc1cccc2c(-n3c(CC4CC4)nc4c(-c5ncco5)cc(N5CCOCC5)cc43)ccnc12
InChIInChI=1S/C27H24FN5O2/c28-21-3-1-2-19-22(6-7-29-25(19)21)33-23-16-18(32-9-12-34-13-10-32)15-20(27-30-8-11-35-27)26(23)31-24(33)14-17-4-5-17/h1-3,6-8,11,15-17H,4-5,9-10,12-14H2
InChIKeyMRQWVCTVLVSNMQ-UHFFFAOYSA-N
MW469.52 g/mol
LogP5.16
Rot. Bonds5

About 4-[2-(cyclopropylmethyl)-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine

4-[2-(cyclopropylmethyl)-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine (PubChem CID 134371919) has the molecular formula C27H24FN5O2 and a molecular weight of 469.52 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethyl)-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-(cyclopropylmethyl)-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
PubChem CID134371919
Molecular FormulaC27H24FN5O2
Molecular Weight469.52 g/mol
Exact Mass469.19
IUPAC Name4-[2-(cyclopropylmethyl)-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
SMILESFc1cccc2c(-n3c(CC4CC4)nc4c(-c5ncco5)cc(N5CCOCC5)cc43)ccnc12
InChIInChI=1S/C27H24FN5O2/c28-21-3-1-2-19-22(6-7-29-25(19)21)33-23-16-18(32-9-12-34-13-10-32)15-20(27-30-8-11-35-27)26(23)31-24(33)14-17-4-5-17/h1-3,6-8,11,15-17H,4-5,9-10,12-14H2
InChIKeyMRQWVCTVLVSNMQ-UHFFFAOYSA-N
XLogP5.16
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.52
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethyl)-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[2-(cyclopropylmethyl)-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine (CID 134371919) is 4-[2-(cyclopropylmethyl)-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-(cyclopropylmethyl)-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[2-(cyclopropylmethyl)-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine is Fc1cccc2c(-n3c(CC4CC4)nc4c(-c5ncco5)cc(N5CCOCC5)cc43)ccnc12.
What is the InChIKey of 4-[2-(cyclopropylmethyl)-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The InChIKey is MRQWVCTVLVSNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O2/c28-21-3-1-2-19-22(6-7-29-25(19)21)33-23-16-18(32-9-12-34-13-10-32)15-20(27-30-8-11-35-27)26(23)31-24(33)14-17-4-5-17/h1-3,6-8,11,15-17H,4-5,9-10,12-14H2.
What are the key properties of 4-[2-(cyclopropylmethyl)-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
4-[2-(cyclopropylmethyl)-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine has a molecular weight of 469.52 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethyl)-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).