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

C23H22F2N4O2 — CID 154626629

IUPAC(6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
SMILESCn1c(C(=O)c2cn(CCN3CCOCC3)c3c(F)cccc23)nc2ccc(F)cc21
InChIInChI=1S/C23H22F2N4O2/c1-27-20-13-15(24)5-6-19(20)26-23(27)22(30)17-14-29(8-7-28-9-11-31-12-10-28)21-16(17)3-2-4-18(21)25/h2-6,13-14H,7-12H2,1H3
InChIKeyMFOALZQYGRQVCV-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.37
Rot. Bonds5

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

(6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone (PubChem CID 154626629) has the molecular formula C23H22F2N4O2 and a molecular weight of 424.45 g/mol. Its IUPAC name is (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
PubChem CID154626629
Molecular FormulaC23H22F2N4O2
Molecular Weight424.45 g/mol
Exact Mass424.17
IUPAC Name(6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
SMILESCn1c(C(=O)c2cn(CCN3CCOCC3)c3c(F)cccc23)nc2ccc(F)cc21
InChIInChI=1S/C23H22F2N4O2/c1-27-20-13-15(24)5-6-19(20)26-23(27)22(30)17-14-29(8-7-28-9-11-31-12-10-28)21-16(17)3-2-4-18(21)25/h2-6,13-14H,7-12H2,1H3
InChIKeyMFOALZQYGRQVCV-UHFFFAOYSA-N
XLogP3.37
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.37
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-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The IUPAC name of (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone (CID 154626629) is (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone.
What is the SMILES notation for (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The canonical SMILES for (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone is Cn1c(C(=O)c2cn(CCN3CCOCC3)c3c(F)cccc23)nc2ccc(F)cc21.
What is the InChIKey of (6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone?
The InChIKey is MFOALZQYGRQVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O2/c1-27-20-13-15(24)5-6-19(20)26-23(27)22(30)17-14-29(8-7-28-9-11-31-12-10-28)21-16(17)3-2-4-18(21)25/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-ylethyl)indol-3-yl]methanone?
(6-fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone has a molecular weight of 424.45 g/mol, XLogP of 3.37, 5 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-(2-morpholin-4-ylethyl)indol-3-yl]methanone is sourced from PubChem (CID 154626629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).