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

C23H22F2N4O4S — CID 162675543

IUPAC(6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethylsulfonyl)indol-3-yl]methanone
SMILESCn1c(C(=O)c2cn(S(=O)(=O)CCN3CCOCC3)c3c(F)cccc23)nc2ccc(F)cc21
InChIInChI=1S/C23H22F2N4O4S/c1-27-20-13-15(24)5-6-19(20)26-23(27)22(30)17-14-29(21-16(17)3-2-4-18(21)25)34(31,32)12-9-28-7-10-33-11-8-28/h2-6,13-14H,7-12H2,1H3
InChIKeySUKAZYQBSGRSIV-UHFFFAOYSA-N
MW488.52 g/mol
LogP2.55
Rot. Bonds6

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

(6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethylsulfonyl)indol-3-yl]methanone (PubChem CID 162675543) has the molecular formula C23H22F2N4O4S and a molecular weight of 488.52 g/mol. Its IUPAC name is (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethylsulfonyl)indol-3-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethylsulfonyl)indol-3-yl]methanone
PubChem CID162675543
Molecular FormulaC23H22F2N4O4S
Molecular Weight488.52 g/mol
Exact Mass488.13
IUPAC Name(6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethylsulfonyl)indol-3-yl]methanone
SMILESCn1c(C(=O)c2cn(S(=O)(=O)CCN3CCOCC3)c3c(F)cccc23)nc2ccc(F)cc21
InChIInChI=1S/C23H22F2N4O4S/c1-27-20-13-15(24)5-6-19(20)26-23(27)22(30)17-14-29(21-16(17)3-2-4-18(21)25)34(31,32)12-9-28-7-10-33-11-8-28/h2-6,13-14H,7-12H2,1H3
InChIKeySUKAZYQBSGRSIV-UHFFFAOYSA-N
XLogP2.55
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethylsulfonyl)indol-3-yl]methanone?
The IUPAC name of (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethylsulfonyl)indol-3-yl]methanone (CID 162675543) is (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethylsulfonyl)indol-3-yl]methanone.
What is the SMILES notation for (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethylsulfonyl)indol-3-yl]methanone?
The canonical SMILES for (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethylsulfonyl)indol-3-yl]methanone is Cn1c(C(=O)c2cn(S(=O)(=O)CCN3CCOCC3)c3c(F)cccc23)nc2ccc(F)cc21.
What is the InChIKey of (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethylsulfonyl)indol-3-yl]methanone?
The InChIKey is SUKAZYQBSGRSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O4S/c1-27-20-13-15(24)5-6-19(20)26-23(27)22(30)17-14-29(21-16(17)3-2-4-18(21)25)34(31,32)12-9-28-7-10-33-11-8-28/h2-6,13-14H,7-12H2,1H3.
What are the key properties of (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethylsulfonyl)indol-3-yl]methanone?
(6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethylsulfonyl)indol-3-yl]methanone has a molecular weight of 488.52 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethylsulfonyl)indol-3-yl]methanone is sourced from PubChem (CID 162675543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).