(6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(3-morpholin-4-ylpropyl)indol-3-yl]methanone

C24H24F2N4O2 — CID 162663369

IUPAC(6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(3-morpholin-4-ylpropyl)indol-3-yl]methanone
SMILESCn1c(C(=O)c2cn(CCCN3CCOCC3)c3c(F)cccc23)nc2ccc(F)cc21
InChIInChI=1S/C24H24F2N4O2/c1-28-21-14-16(25)6-7-20(21)27-24(28)23(31)18-15-30(22-17(18)4-2-5-19(22)26)9-3-8-29-10-12-32-13-11-29/h2,4-7,14-15H,3,8-13H2,1H3
InChIKeyYEVGQNQEVZROBS-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.76
Rot. Bonds6

About (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(3-morpholin-4-ylpropyl)indol-3-yl]methanone

(6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(3-morpholin-4-ylpropyl)indol-3-yl]methanone (PubChem CID 162663369) has the molecular formula C24H24F2N4O2 and a molecular weight of 438.48 g/mol. Its IUPAC name is (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(3-morpholin-4-ylpropyl)indol-3-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(3-morpholin-4-ylpropyl)indol-3-yl]methanone
PubChem CID162663369
Molecular FormulaC24H24F2N4O2
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name(6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(3-morpholin-4-ylpropyl)indol-3-yl]methanone
SMILESCn1c(C(=O)c2cn(CCCN3CCOCC3)c3c(F)cccc23)nc2ccc(F)cc21
InChIInChI=1S/C24H24F2N4O2/c1-28-21-14-16(25)6-7-20(21)27-24(28)23(31)18-15-30(22-17(18)4-2-5-19(22)26)9-3-8-29-10-12-32-13-11-29/h2,4-7,14-15H,3,8-13H2,1H3
InChIKeyYEVGQNQEVZROBS-UHFFFAOYSA-N
XLogP3.76
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(3-morpholin-4-ylpropyl)indol-3-yl]methanone?
The IUPAC name of (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(3-morpholin-4-ylpropyl)indol-3-yl]methanone (CID 162663369) is (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(3-morpholin-4-ylpropyl)indol-3-yl]methanone.
What is the SMILES notation for (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(3-morpholin-4-ylpropyl)indol-3-yl]methanone?
The canonical SMILES for (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(3-morpholin-4-ylpropyl)indol-3-yl]methanone is Cn1c(C(=O)c2cn(CCCN3CCOCC3)c3c(F)cccc23)nc2ccc(F)cc21.
What is the InChIKey of (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(3-morpholin-4-ylpropyl)indol-3-yl]methanone?
The InChIKey is YEVGQNQEVZROBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O2/c1-28-21-14-16(25)6-7-20(21)27-24(28)23(31)18-15-30(22-17(18)4-2-5-19(22)26)9-3-8-29-10-12-32-13-11-29/h2,4-7,14-15H,3,8-13H2,1H3.
What are the key properties of (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(3-morpholin-4-ylpropyl)indol-3-yl]methanone?
(6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(3-morpholin-4-ylpropyl)indol-3-yl]methanone has a molecular weight of 438.48 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(3-morpholin-4-ylpropyl)indol-3-yl]methanone is sourced from PubChem (CID 162663369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).