(7-fluoro-1H-indol-3-yl)-(6-fluoro-1-methylbenzimidazol-2-yl)methanone

C17H11F2N3O — CID 154626627

IUPAC(7-fluoro-1H-indol-3-yl)-(6-fluoro-1-methylbenzimidazol-2-yl)methanone
SMILESCn1c(C(=O)c2c[nH]c3c(F)cccc23)nc2ccc(F)cc21
InChIInChI=1S/C17H11F2N3O/c1-22-14-7-9(18)5-6-13(14)21-17(22)16(23)11-8-20-15-10(11)3-2-4-12(15)19/h2-8,20H,1H3
InChIKeyQLKHIHJMEWHCQU-UHFFFAOYSA-N
MW311.29 g/mol
LogP3.56
Rot. Bonds2

About (7-fluoro-1H-indol-3-yl)-(6-fluoro-1-methylbenzimidazol-2-yl)methanone

(7-fluoro-1H-indol-3-yl)-(6-fluoro-1-methylbenzimidazol-2-yl)methanone (PubChem CID 154626627) has the molecular formula C17H11F2N3O and a molecular weight of 311.29 g/mol. Its IUPAC name is (7-fluoro-1H-indol-3-yl)-(6-fluoro-1-methylbenzimidazol-2-yl)methanone.

Molecular Properties

Compound Name(7-fluoro-1H-indol-3-yl)-(6-fluoro-1-methylbenzimidazol-2-yl)methanone
PubChem CID154626627
Molecular FormulaC17H11F2N3O
Molecular Weight311.29 g/mol
Exact Mass311.09
IUPAC Name(7-fluoro-1H-indol-3-yl)-(6-fluoro-1-methylbenzimidazol-2-yl)methanone
SMILESCn1c(C(=O)c2c[nH]c3c(F)cccc23)nc2ccc(F)cc21
InChIInChI=1S/C17H11F2N3O/c1-22-14-7-9(18)5-6-13(14)21-17(22)16(23)11-8-20-15-10(11)3-2-4-12(15)19/h2-8,20H,1H3
InChIKeyQLKHIHJMEWHCQU-UHFFFAOYSA-N
XLogP3.56
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1H-indol-3-yl)-(6-fluoro-1-methylbenzimidazol-2-yl)methanone?
The IUPAC name of (7-fluoro-1H-indol-3-yl)-(6-fluoro-1-methylbenzimidazol-2-yl)methanone (CID 154626627) is (7-fluoro-1H-indol-3-yl)-(6-fluoro-1-methylbenzimidazol-2-yl)methanone.
What is the SMILES notation for (7-fluoro-1H-indol-3-yl)-(6-fluoro-1-methylbenzimidazol-2-yl)methanone?
The canonical SMILES for (7-fluoro-1H-indol-3-yl)-(6-fluoro-1-methylbenzimidazol-2-yl)methanone is Cn1c(C(=O)c2c[nH]c3c(F)cccc23)nc2ccc(F)cc21.
What is the InChIKey of (7-fluoro-1H-indol-3-yl)-(6-fluoro-1-methylbenzimidazol-2-yl)methanone?
The InChIKey is QLKHIHJMEWHCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O/c1-22-14-7-9(18)5-6-13(14)21-17(22)16(23)11-8-20-15-10(11)3-2-4-12(15)19/h2-8,20H,1H3.
What are the key properties of (7-fluoro-1H-indol-3-yl)-(6-fluoro-1-methylbenzimidazol-2-yl)methanone?
(7-fluoro-1H-indol-3-yl)-(6-fluoro-1-methylbenzimidazol-2-yl)methanone has a molecular weight of 311.29 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1H-indol-3-yl)-(6-fluoro-1-methylbenzimidazol-2-yl)methanone is sourced from PubChem (CID 154626627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).