6-chloro-3-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]chromen-4-one

C25H19ClN2O2 — CID 146014935

IUPAC6-chloro-3-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]chromen-4-one
SMILESCc1ccc2c(c1)nc(CCc1coc3ccc(Cl)cc3c1=O)n2-c1ccccc1
InChIInChI=1S/C25H19ClN2O2/c1-16-7-10-22-21(13-16)27-24(28(22)19-5-3-2-4-6-19)12-8-17-15-30-23-11-9-18(26)14-20(23)25(17)29/h2-7,9-11,13-15H,8,12H2,1H3
InChIKeyUXCWAAKUKNXUNL-UHFFFAOYSA-N
MW414.89 g/mol
LogP5.88
Rot. Bonds4

About 6-chloro-3-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]chromen-4-one

6-chloro-3-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]chromen-4-one (PubChem CID 146014935) has the molecular formula C25H19ClN2O2 and a molecular weight of 414.89 g/mol. Its IUPAC name is 6-chloro-3-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]chromen-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]chromen-4-one
PubChem CID146014935
Molecular FormulaC25H19ClN2O2
Molecular Weight414.89 g/mol
Exact Mass414.11
IUPAC Name6-chloro-3-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]chromen-4-one
SMILESCc1ccc2c(c1)nc(CCc1coc3ccc(Cl)cc3c1=O)n2-c1ccccc1
InChIInChI=1S/C25H19ClN2O2/c1-16-7-10-22-21(13-16)27-24(28(22)19-5-3-2-4-6-19)12-8-17-15-30-23-11-9-18(26)14-20(23)25(17)29/h2-7,9-11,13-15H,8,12H2,1H3
InChIKeyUXCWAAKUKNXUNL-UHFFFAOYSA-N
XLogP5.88
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.89
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]chromen-4-one?
The IUPAC name of 6-chloro-3-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]chromen-4-one (CID 146014935) is 6-chloro-3-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]chromen-4-one.
What is the SMILES notation for 6-chloro-3-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]chromen-4-one?
The canonical SMILES for 6-chloro-3-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]chromen-4-one is Cc1ccc2c(c1)nc(CCc1coc3ccc(Cl)cc3c1=O)n2-c1ccccc1.
What is the InChIKey of 6-chloro-3-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]chromen-4-one?
The InChIKey is UXCWAAKUKNXUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O2/c1-16-7-10-22-21(13-16)27-24(28(22)19-5-3-2-4-6-19)12-8-17-15-30-23-11-9-18(26)14-20(23)25(17)29/h2-7,9-11,13-15H,8,12H2,1H3.
What are the key properties of 6-chloro-3-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]chromen-4-one?
6-chloro-3-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]chromen-4-one has a molecular weight of 414.89 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(5-methyl-1-phenylbenzimidazol-2-yl)ethyl]chromen-4-one is sourced from PubChem (CID 146014935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).